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880800-21-5 | 1,4-Benzenediamine, N'-[1,1'-biphenyl]-4-yl-N-1-naphthalenyl-N-phenyl-
CAS No: 880800-21-5 Catalog No: AG004ERD MDL No:
Product Description
Catalog Number:
AG004ERD
Chemical Name:
1,4-Benzenediamine, N'-[1,1'-biphenyl]-4-yl-N-1-naphthalenyl-N-phenyl-
CAS Number:
880800-21-5
Molecular Formula:
C34H26N2
Molecular Weight:
462.5836
IUPAC Name:
4-N-naphthalen-1-yl-4-N-phenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
InChI:
InChI=1S/C34H26N2/c1-3-10-26(11-4-1)27-18-20-29(21-19-27)35-30-22-24-32(25-23-30)36(31-14-5-2-6-15-31)34-17-9-13-28-12-7-8-16-33(28)34/h1-25,35H
InChI Key:
CMKGTQDXQDVHFN-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)N(c1cccc2c1cccc2)c1ccc(cc1)Nc1ccc(cc1)c1ccccc1
Properties
Complexity:
634
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
462.21g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
462.596g/mol
Monoisotopic Mass:
462.21g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.6
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