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132808-93-6 | 9H-Carbazole, 3,3'-(1,2-diphenyl-1,2-ethenediyl)bis[9-phenyl-
CAS No: 132808-93-6 Catalog No: AG00117S MDL No:
Product Description
Catalog Number:
AG00117S
Chemical Name:
9H-Carbazole, 3,3'-(1,2-diphenyl-1,2-ethenediyl)bis[9-phenyl-
CAS Number:
132808-93-6
Molecular Formula:
C50H34N2
Molecular Weight:
662.8184
IUPAC Name:
3-[1,2-diphenyl-2-(9-phenylcarbazol-3-yl)ethenyl]-9-phenylcarbazole
InChI:
InChI=1S/C50H34N2/c1-5-17-35(18-6-1)49(37-29-31-47-43(33-37)41-25-13-15-27-45(41)51(47)39-21-9-3-10-22-39)50(36-19-7-2-8-20-36)38-30-32-48-44(34-38)42-26-14-16-28-46(42)52(48)40-23-11-4-12-24-40/h1-34H
InChI Key:
LZRVDASTQVVTBP-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C(=C(c1ccc2c(c1)c1ccccc1n2c1ccccc1)c1ccccc1)c1ccc2c(c1)c1ccccc1n2c1ccccc1
Properties
Complexity:
1100
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
662.272g/mol
Formal Charge:
0
Heavy Atom Count:
52
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
662.836g/mol
Monoisotopic Mass:
662.272g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
9.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
14.1
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