CAS 115091-29-7 | 2,2':6',2''-Terpyridine, 4,4',4''-tris(1,1-dimethylethyl)- | CAS Number 115091-29-7

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115091-29-7 | 2,2':6',2''-Terpyridine, 4,4',4''-tris(1,1-dimethylethyl)-

CAS No: 115091-29-7 Catalog No: AG000FV9 MDL No:MFCD02093731

Product Description

Catalog Number:

AG000FV9

Chemical Name:

2,2':6',2''-Terpyridine, 4,4',4''-tris(1,1-dimethylethyl)-

CAS Number:

115091-29-7

Molecular Formula:

C27H35N3

Molecular Weight:

401.5869

MDL Number:

MFCD02093731

IUPAC Name:

4-tert-butyl-2,6-bis(4-tert-butylpyridin-2-yl)pyridine

InChI:

InChI=1S/C27H35N3/c1-25(2,3)18-10-12-28-21(14-18)23-16-20(27(7,8)9)17-24(30-23)22-15-19(11-13-29-22)26(4,5)6/h10-17H,1-9H3

InChI Key:

QMABMHJGSFUTPF-UHFFFAOYSA-N

SMILES:

CC(c1cc(nc(c1)c1nccc(c1)C(C)(C)C)c1nccc(c1)C(C)(C)C)(C)C

Properties

Complexity:

508

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

401.283g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

401.598g/mol

Monoisotopic Mass:

401.283g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

38.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

7.1

Literature

Title	Journal
trans-Chloridobis(4-methyl-pyridine-κN)(4,4',4''-tri-tert-butyl-2,2':6',2''-terpyridine-κN,N',N'')ruthenium(II) hexa-fluoridophosphate acetone monosolvate.	Acta crystallographica. Section E, Structure reports online 20120301
Electrogenerated chemiluminescence of platinum(II) alkynyl terpyridine complex with peroxydisulfate as coreactant.	Inorganic chemistry 20110321
Chlorido(4,4',4''-tri-tert-butyl-2,2':6',2''-terpyridine)-platinum(II) chloride toluene monosolvate.	Acta crystallographica. Section E, Structure reports online 20101201
Platinum(IV)-kappa(3)-terpyridine complexes: synthesis with spectroscopic and structural characterization.	Chemical communications (Cambridge, England) 20100721
Ligand-to-ligand charge-transfer transitions of platinum(II) complexes with arylacetylide ligands with different chain lengths: spectroscopic characterization, effect of molecular conformations, and density functional theory calculations.	Chemistry (Weinheim an der Bergstrasse, Germany) 20100611
Tris(t-butyl)terpyridine-copper(ii) complexes and ligand field effects.	Dalton transactions (Cambridge, England : 2003) 20090221
Controlling the extent of pi-backbonding in platinum(ii) terpyridyl systems: a detailed kinetic, mechanistic and computational approach.	Dalton transactions (Cambridge, England : 2003) 20081221
Ligand localized triplet excited states in platinum(II) bipyridyl and terpyridyl peryleneacetylides.	Inorganic chemistry 20080519
A dicationic organoplatinum(II) complex containing a bridging 2,5-bis-(4-ethynylphenyl)-[1,3,4]oxadiazole ligand behaves as a phosphorescent gelator for organic solvents.	Chemistry, an Asian journal 20080104
Excited-state absorption properties of platinum(II) terpyridyl acetylides.	Inorganic chemistry 20070416
Photoreactivity and photopolymerization of silicon-bridged [1]ferrocenophanes in the presence of terpyridine initiators: unprecedented cleavage of both iron-cyclopentadienyl bonds in the presence of chlorosilanes.	Chemistry (Weinheim an der Bergstrasse, Germany) 20070101