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167859-26-9 | Benzenamine, 4-(4,4-diphenyl-1,3-butadien-1-yl)-N-[4-(4,4-diphenyl-1,3-butadien-1-yl)phenyl]-N-phenyl-
CAS No: 167859-26-9 Catalog No: AG001XNI MDL No:
Product Description
Catalog Number:
AG001XNI
Chemical Name:
Benzenamine, 4-(4,4-diphenyl-1,3-butadien-1-yl)-N-[4-(4,4-diphenyl-1,3-butadien-1-yl)phenyl]-N-phenyl-
CAS Number:
167859-26-9
Molecular Formula:
C50H39N
Molecular Weight:
653.8514
IUPAC Name:
4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]-N-phenylaniline
InChI:
InChI=1S/C50H39N/c1-6-20-42(21-7-1)49(43-22-8-2-9-23-43)30-16-18-40-32-36-47(37-33-40)51(46-28-14-5-15-29-46)48-38-34-41(35-39-48)19-17-31-50(44-24-10-3-11-25-44)45-26-12-4-13-27-45/h1-39H
InChI Key:
KNMFCZAASWGKNN-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)N(c1ccc(cc1)C=CC=C(c1ccccc1)c1ccccc1)c1ccc(cc1)C=CC=C(c1ccccc1)c1ccccc1
Properties
Complexity:
974
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
653.308g/mol
Formal Charge:
0
Heavy Atom Count:
51
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
653.869g/mol
Monoisotopic Mass:
653.308g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
14.8
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