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89174-39-0 | Propanedinitrile, [4,6-diphenyl-1-(phenylmethyl)-2(1H)-pyridinylidene]-
CAS No: 89174-39-0 Catalog No: AG003WAI MDL No:
Product Description
Catalog Number:
AG003WAI
Chemical Name:
Propanedinitrile, [4,6-diphenyl-1-(phenylmethyl)-2(1H)-pyridinylidene]-
CAS Number:
89174-39-0
Molecular Formula:
C27H19N3
Molecular Weight:
385.4599
IUPAC Name:
2-(1-benzyl-4,6-diphenylpyridin-2-ylidene)propanedinitrile
InChI:
InChI=1S/C27H19N3/c28-18-25(19-29)27-17-24(22-12-6-2-7-13-22)16-26(23-14-8-3-9-15-23)30(27)20-21-10-4-1-5-11-21/h1-17H,20H2
InChI Key:
QYPDVJXLRUILIO-UHFFFAOYSA-N
SMILES:
N#CC(=c1cc(cc(n1Cc1ccccc1)c1ccccc1)c1ccccc1)C#N
Properties
Complexity:
776
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.158g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
385.47g/mol
Monoisotopic Mass:
385.158g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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