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209980-47-2 | [1,1'-Biphenyl]-4,4'-diamine, N4,N4'-bis[4-(1-naphthalenylphenylamino)phenyl]-N4,N4'-diphenyl-
CAS No: 209980-47-2 Catalog No: AG002KHJ MDL No:MFCD23135499
Product Description
Catalog Number:
AG002KHJ
Chemical Name:
[1,1'-Biphenyl]-4,4'-diamine, N4,N4'-bis[4-(1-naphthalenylphenylamino)phenyl]-N4,N4'-diphenyl-
CAS Number:
209980-47-2
Molecular Formula:
C68H54N4
Molecular Weight:
927.1832
MDL Number:
MFCD23135499
IUPAC Name:
4-N-naphthalen-1-yl-1-N-[4-[4-(N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
InChI:
InChI=1S/C68H50N4/c1-5-23-55(24-6-1)69(61-43-47-63(48-44-61)71(57-27-9-3-10-28-57)67-33-17-21-53-19-13-15-31-65(53)67)59-39-35-51(36-40-59)52-37-41-60(42-38-52)70(56-25-7-2-8-26-56)62-45-49-64(50-46-62)72(58-29-11-4-12-30-58)68-34-18-22-54-20-14-16-32-66(54)68/h1-50H
InChI Key:
ZPFOEBMLJJUDQR-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)N(c1ccc(cc1)NC1(CC=CC=C1)c1cccc2c1cccc2)c1ccc(cc1)c1ccc(cc1)N(c1ccc(cc1)NC1(CC=CC=C1)c1cccc2c1cccc2)c1ccccc1
Properties
Complexity:
1440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
922.404g/mol
Formal Charge:
0
Heavy Atom Count:
72
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
923.176g/mol
Monoisotopic Mass:
922.404g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
13A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
19
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