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868839-39-8 | 2-Naphthalenamine, 6,6'-(9,10-anthracenediyl)bis[N,N-diphenyl-
CAS No: 868839-39-8 Catalog No: AG004IBX MDL No:
Product Description
Catalog Number:
AG004IBX
Chemical Name:
2-Naphthalenamine, 6,6'-(9,10-anthracenediyl)bis[N,N-diphenyl-
CAS Number:
868839-39-8
Molecular Formula:
C58H40N2
Molecular Weight:
764.9516
IUPAC Name:
N,N-diphenyl-6-[10-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-9-yl]naphthalen-2-amine
InChI:
InChI=1S/C58H40N2/c1-5-17-47(18-6-1)59(48-19-7-2-8-20-48)51-35-33-41-37-45(31-29-43(41)39-51)57-53-25-13-15-27-55(53)58(56-28-16-14-26-54(56)57)46-32-30-44-40-52(36-34-42(44)38-46)60(49-21-9-3-10-22-49)50-23-11-4-12-24-50/h1-40H
InChI Key:
PEFUREDGORQKOM-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)N(c1ccc2c(c1)ccc(c2)c1c2ccccc2c(c2c1cccc2)c1ccc2c(c1)ccc(c2)N(c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
1160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
764.319g/mol
Formal Charge:
0
Heavy Atom Count:
60
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
764.972g/mol
Monoisotopic Mass:
764.319g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
16.7
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