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141356-21-0 | Benzenamine, 4,4'-cyclopentylidenebis[N,N-bis(4-methylphenyl)-
CAS No: 141356-21-0 Catalog No: AG001GAS MDL No:
Product Description
Catalog Number:
AG001GAS
Chemical Name:
Benzenamine, 4,4'-cyclopentylidenebis[N,N-bis(4-methylphenyl)-
CAS Number:
141356-21-0
Molecular Formula:
C45H44N2
Molecular Weight:
612.8443
IUPAC Name:
4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclopentyl]phenyl]-N-(4-methylphenyl)aniline
InChI:
InChI=1S/C45H44N2/c1-33-7-19-39(20-8-33)46(40-21-9-34(2)10-22-40)43-27-15-37(16-28-43)45(31-5-6-32-45)38-17-29-44(30-18-38)47(41-23-11-35(3)12-24-41)42-25-13-36(4)14-26-42/h7-30H,5-6,31-32H2,1-4H3
InChI Key:
XHBAHUUUFQBVOL-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)N(c1ccc(cc1)C)c1ccc(cc1)C1(CCCC1)c1ccc(cc1)N(c1ccc(cc1)C)c1ccc(cc1)C
Properties
Complexity:
792
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
612.35g/mol
Formal Charge:
0
Heavy Atom Count:
47
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
612.861g/mol
Monoisotopic Mass:
612.35g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.5
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