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Home > Pyridines > 102146-60-1
102146-60-1 | 3-Pyridinecarbonitrile, 6,6'-[1,1'-biphenyl]-4,4'-diylbis[2,4-diphenyl- (9CI)
CAS No: 102146-60-1 Catalog No: AG0006QA MDL No:
Product Description
Catalog Number:
AG0006QA
Chemical Name:
3-Pyridinecarbonitrile, 6,6'-[1,1'-biphenyl]-4,4'-diylbis[2,4-diphenyl- (9CI)
CAS Number:
102146-60-1
Molecular Formula:
C48H30N4
Molecular Weight:
662.7786
IUPAC Name:
6-[4-[4-(5-cyano-4,6-diphenylpyridin-2-yl)phenyl]phenyl]-2,4-diphenylpyridine-3-carbonitrile
InChI:
InChI=1S/C48H30N4/c49-31-43-41(35-13-5-1-6-14-35)29-45(51-47(43)39-17-9-3-10-18-39)37-25-21-33(22-26-37)34-23-27-38(28-24-34)46-30-42(36-15-7-2-8-16-36)44(32-50)48(52-46)40-19-11-4-12-20-40/h1-30H
InChI Key:
ICMQOAIMMZNGIQ-UHFFFAOYSA-N
SMILES:
N#Cc1c(cc(nc1c1ccccc1)c1ccc(cc1)c1ccc(cc1)c1cc(c2ccccc2)c(c(n1)c1ccccc1)C#N)c1ccccc1
Properties
Complexity:
1090
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
662.247g/mol
Formal Charge:
0
Heavy Atom Count:
52
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
662.796g/mol
Monoisotopic Mass:
662.247g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
73.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.7
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