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124613-45-2 | Benzenamine, 4,4'-(2,5-thiophenediyl)bis[N,N-bis(4-methylphenyl)-
CAS No: 124613-45-2 Catalog No: AG000MHI MDL No:
Product Description
Catalog Number:
AG000MHI
Chemical Name:
Benzenamine, 4,4'-(2,5-thiophenediyl)bis[N,N-bis(4-methylphenyl)-
CAS Number:
124613-45-2
Molecular Formula:
C44H38N2S
Molecular Weight:
626.8509
IUPAC Name:
4-methyl-N-[4-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]thiophen-2-yl]phenyl]-N-(4-methylphenyl)aniline
InChI:
InChI=1S/C44H38N2S/c1-31-5-17-37(18-6-31)45(38-19-7-32(2)8-20-38)41-25-13-35(14-26-41)43-29-30-44(47-43)36-15-27-42(28-16-36)46(39-21-9-33(3)10-22-39)40-23-11-34(4)12-24-40/h5-30H,1-4H3
InChI Key:
YQWMPXNCULABMM-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)N(c1ccc(cc1)C)c1ccc(cc1)c1ccc(s1)c1ccc(cc1)N(c1ccc(cc1)C)c1ccc(cc1)C
Properties
Complexity:
787
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
626.276g/mol
Formal Charge:
0
Heavy Atom Count:
47
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
626.862g/mol
Monoisotopic Mass:
626.276g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
34.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.9
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