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887402-92-8 | N4,N4'-Diphenyl-N4,N4'-bis(9-phenyl-9H-carbazol-3-yl)-[1,1'-biphenyl]-4,4'-diamine
CAS No: 887402-92-8 Catalog No: AG0038DL MDL No:MFCD16036285
Product Description
Catalog Number:
AG0038DL
Chemical Name:
N4,N4'-Diphenyl-N4,N4'-bis(9-phenyl-9H-carbazol-3-yl)-[1,1'-biphenyl]-4,4'-diamine
CAS Number:
887402-92-8
Molecular Formula:
C60H42N4
Molecular Weight:
819.0023
MDL Number:
MFCD16036285
IUPAC Name:
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
InChI:
InChI=1S/C60H42N4/c1-5-17-45(18-6-1)61(51-37-39-59-55(41-51)53-25-13-15-27-57(53)63(59)47-21-9-3-10-22-47)49-33-29-43(30-34-49)44-31-35-50(36-32-44)62(46-19-7-2-8-20-46)52-38-40-60-56(42-52)54-26-14-16-28-58(54)64(60)48-23-11-4-12-24-48/h1-42H
InChI Key:
MESMXXUBQDBBSR-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)N(c1ccc2c(c1)c1ccccc1n2c1ccccc1)c1ccc(cc1)c1ccc(cc1)N(c1ccc2c(c1)c1ccccc1n2c1ccccc1)c1ccccc1
Properties
Complexity:
1330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
818.341g/mol
Formal Charge:
0
Heavy Atom Count:
64
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
819.024g/mol
Monoisotopic Mass:
818.341g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
16.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
16.2
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