CAS 80663-92-9 | Perylene, 2,5,8,11-tetrakis(1,1-dimethylethyl)- | CAS Number 80663-92-9

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80663-92-9 | Perylene, 2,5,8,11-tetrakis(1,1-dimethylethyl)-

CAS No: 80663-92-9 Catalog No: AG005JZR MDL No:MFCD09835379

Product Description

Catalog Number:

AG005JZR

Chemical Name:

Perylene, 2,5,8,11-tetrakis(1,1-dimethylethyl)-

CAS Number:

80663-92-9

Molecular Formula:

C36H44

Molecular Weight:

476.7346

MDL Number:

MFCD09835379

IUPAC Name:

2,5,8,11-tetratert-butylperylene

InChI:

InChI=1S/C36H44/c1-33(2,3)23-13-21-14-24(34(4,5)6)19-29-30-20-26(36(10,11)12)16-22-15-25(35(7,8)9)18-28(32(22)30)27(17-23)31(21)29/h13-20H,1-12H3

InChI Key:

BFTIPCRZWILUIY-UHFFFAOYSA-N

SMILES:

CC(c1cc2cc(cc3c2c(c1)c1cc(cc2c1c3cc(c2)C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C

Properties

Complexity:

658

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

476.344g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

476.748g/mol

Monoisotopic Mass:

476.344g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

12.4

Literature

Title	Journal
Excited-state symmetry and reorientation dynamics of perylenes in liquid solutions: time-resolved fluorescence depolarization studies using one- and two-photon excitation.	The journal of physical chemistry. A 20080703
The photophysical properties of chromophores at high (100 mM and above) concentrations in polymers and as neat solids.	Physical chemistry chemical physics : PCCP 20060807