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139255-17-7 | [1,1'-Biphenyl]-4,4'-diamine, N4,N4'-di-2-naphthalenyl-N4,N4'-diphenyl-
CAS No: 139255-17-7 Catalog No: AG001AL1 MDL No:MFCD03093247
Product Description
Catalog Number:
AG001AL1
Chemical Name:
[1,1'-Biphenyl]-4,4'-diamine, N4,N4'-di-2-naphthalenyl-N4,N4'-diphenyl-
CAS Number:
139255-17-7
Molecular Formula:
C44H32N2
Molecular Weight:
588.7383
MDL Number:
MFCD03093247
IUPAC Name:
N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
InChI:
InChI=1S/C44H32N2/c1-3-15-39(16-4-1)45(43-29-23-33-11-7-9-13-37(33)31-43)41-25-19-35(20-26-41)36-21-27-42(28-22-36)46(40-17-5-2-6-18-40)44-30-24-34-12-8-10-14-38(34)32-44/h1-32H
InChI Key:
BLFVVZKSHYCRDR-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)N(c1ccc2c(c1)cccc2)c1ccc(cc1)c1ccc(cc1)N(c1ccc2c(c1)cccc2)c1ccccc1
Properties
Complexity:
829
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
588.257g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
588.754g/mol
Monoisotopic Mass:
588.257g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.5
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