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89174-46-9 | Propanedinitrile, (4,6-diphenyl-2-pyridinyl)[(4-methylphenyl)methyl]-
CAS No: 89174-46-9 Catalog No: AG003WAH MDL No:
Product Description
Catalog Number:
AG003WAH
Chemical Name:
Propanedinitrile, (4,6-diphenyl-2-pyridinyl)[(4-methylphenyl)methyl]-
CAS Number:
89174-46-9
Molecular Formula:
C28H21N3
Molecular Weight:
399.4864
IUPAC Name:
2-(4,6-diphenylpyridin-2-yl)-2-[(4-methylphenyl)methyl]propanedinitrile
InChI:
InChI=1S/C28H21N3/c1-21-12-14-22(15-13-21)18-28(19-29,20-30)27-17-25(23-8-4-2-5-9-23)16-26(31-27)24-10-6-3-7-11-24/h2-17H,18H2,1H3
InChI Key:
XOUWMRGLBANYII-UHFFFAOYSA-N
SMILES:
N#CC(c1cc(cc(n1)c1ccccc1)c1ccccc1)(Cc1ccc(cc1)C)C#N
Properties
Complexity:
645
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.174g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
399.497g/mol
Monoisotopic Mass:
399.174g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
60.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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