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138456-25-4 | Benzenamine, 4,4'-(1,5-pentanediyl)bis[N-(4-methoxyphenyl)-N-phenyl-
CAS No: 138456-25-4 Catalog No: AG00197B MDL No:
Product Description
Catalog Number:
AG00197B
Chemical Name:
Benzenamine, 4,4'-(1,5-pentanediyl)bis[N-(4-methoxyphenyl)-N-phenyl-
CAS Number:
138456-25-4
Molecular Formula:
C43H42N2O2
Molecular Weight:
618.8058
IUPAC Name:
N-(4-methoxyphenyl)-4-[5-[4-(N-(4-methoxyphenyl)anilino)phenyl]pentyl]-N-phenylaniline
InChI:
InChI=1S/C43H42N2O2/c1-46-42-30-26-40(27-31-42)44(36-14-8-4-9-15-36)38-22-18-34(19-23-38)12-6-3-7-13-35-20-24-39(25-21-35)45(37-16-10-5-11-17-37)41-28-32-43(47-2)33-29-41/h4-5,8-11,14-33H,3,6-7,12-13H2,1-2H3
InChI Key:
XZNVKANDPSQSGN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N(c1ccccc1)c1ccc(cc1)CCCCCc1ccc(cc1)N(c1ccc(cc1)OC)c1ccccc1
Properties
Complexity:
755
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
618.325g/mol
Formal Charge:
0
Heavy Atom Count:
47
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
618.821g/mol
Monoisotopic Mass:
618.325g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.2
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