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Home > Pyridines > 144780-85-8
144780-85-8 | 2,2':6',2''-Terpyridine, 4'-(3,4,5-trimethoxyphenyl)-
CAS No: 144780-85-8 Catalog No: AG001K5V MDL No:
Product Description
Catalog Number:
AG001K5V
Chemical Name:
2,2':6',2''-Terpyridine, 4'-(3,4,5-trimethoxyphenyl)-
CAS Number:
144780-85-8
Molecular Formula:
C24H21N3O3
Molecular Weight:
399.4418
IUPAC Name:
2,6-dipyridin-2-yl-4-(3,4,5-trimethoxyphenyl)pyridine
InChI:
InChI=1S/C24H21N3O3/c1-28-22-14-17(15-23(29-2)24(22)30-3)16-12-20(18-8-4-6-10-25-18)27-21(13-16)19-9-5-7-11-26-19/h4-15H,1-3H3
InChI Key:
ZDTPHJQUPFPBBL-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)c1cc(nc(c1)c1ccccn1)c1ccccn1
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.158g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
399.45g/mol
Monoisotopic Mass:
399.158g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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