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189388-18-9 | 1,3-Benzenediamine, N1-[4-(diphenylamino)phenyl]-N1,N3-diphenyl-
CAS No: 189388-18-9 Catalog No: AG002DMX MDL No:
Product Description
Catalog Number:
AG002DMX
Chemical Name:
1,3-Benzenediamine, N1-[4-(diphenylamino)phenyl]-N1,N3-diphenyl-
CAS Number:
189388-18-9
Molecular Formula:
C36H29N3
Molecular Weight:
503.6356
IUPAC Name:
1-N,3-N-diphenyl-3-N-[4-(N-phenylanilino)phenyl]benzene-1,3-diamine
InChI:
InChI=1S/C36H29N3/c1-5-14-29(15-6-1)37-30-16-13-23-36(28-30)39(33-21-11-4-12-22-33)35-26-24-34(25-27-35)38(31-17-7-2-8-18-31)32-19-9-3-10-20-32/h1-28,37H
InChI Key:
JFQCVHOWQBOFGL-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Nc1cccc(c1)N(c1ccccc1)c1ccc(cc1)N(c1ccccc1)c1ccccc1
Properties
Complexity:
659
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
503.236g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
503.649g/mol
Monoisotopic Mass:
503.236g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.9
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