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275793-98-1 | Benzenemethanol, 4-[(4-butylphenyl)[4'-[(4-butylphenyl)phenylamino][1,1'-biphenyl]-4-yl]amino]-
CAS No: 275793-98-1 Catalog No: AG002U40 MDL No:
Product Description
Catalog Number:
AG002U40
Chemical Name:
Benzenemethanol, 4-[(4-butylphenyl)[4'-[(4-butylphenyl)phenylamino][1,1'-biphenyl]-4-yl]amino]-
CAS Number:
275793-98-1
Molecular Formula:
C45H46N2O
Molecular Weight:
630.8595
IUPAC Name:
[4-(4-butyl-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]anilino)phenyl]methanol
InChI:
InChI=1S/C45H46N2O/c1-3-5-10-35-14-24-41(25-15-35)46(40-12-8-7-9-13-40)44-30-20-38(21-31-44)39-22-32-45(33-23-39)47(43-28-18-37(34-48)19-29-43)42-26-16-36(17-27-42)11-6-4-2/h7-9,12-33,48H,3-6,10-11,34H2,1-2H3
InChI Key:
WUDZFGINAUFAIN-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)N(c1ccccc1)c1ccc(cc1)c1ccc(cc1)N(c1ccc(cc1)CCCC)c1ccc(cc1)CO
Properties
Complexity:
846
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
630.361g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
630.876g/mol
Monoisotopic Mass:
630.361g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
26.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.9
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