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114869-94-2 | Benzenamine, 4-(2-phenylethenyl)-N,N-bis[4-(2-phenylethenyl)phenyl]-
CAS No: 114869-94-2 Catalog No: AG000FCW MDL No:
Product Description
Catalog Number:
AG000FCW
Chemical Name:
Benzenamine, 4-(2-phenylethenyl)-N,N-bis[4-(2-phenylethenyl)phenyl]-
CAS Number:
114869-94-2
Molecular Formula:
C42H33N
Molecular Weight:
551.7181
IUPAC Name:
4-(2-phenylethenyl)-N,N-bis[4-(2-phenylethenyl)phenyl]aniline
InChI:
InChI=1S/C42H33N/c1-4-10-34(11-5-1)16-19-37-22-28-40(29-23-37)43(41-30-24-38(25-31-41)20-17-35-12-6-2-7-13-35)42-32-26-39(27-33-42)21-18-36-14-8-3-9-15-36/h1-33H
InChI Key:
KFTGQHDTANINQC-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C=Cc1ccc(cc1)N(c1ccc(cc1)C=Cc1ccccc1)c1ccc(cc1)C=Cc1ccccc1
Properties
Complexity:
727
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
551.261g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
551.733g/mol
Monoisotopic Mass:
551.261g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
12
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