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Home > Indoles and Oxindole > 848942-87-0
848942-87-0 | 1H-Indole, 1,1'-[1,1':4',1''-terphenyl]-4,4''-diylbis[2-phenyl-
CAS No: 848942-87-0 Catalog No: AG004M90 MDL No:
Product Description
Catalog Number:
AG004M90
Chemical Name:
1H-Indole, 1,1'-[1,1':4',1''-terphenyl]-4,4''-diylbis[2-phenyl-
CAS Number:
848942-87-0
Molecular Formula:
C46H32N2
Molecular Weight:
612.7597
IUPAC Name:
2-phenyl-1-[4-[4-[4-(2-phenylindol-1-yl)phenyl]phenyl]phenyl]indole
InChI:
InChI=1S/C46H32N2/c1-3-11-37(12-4-1)45-31-39-15-7-9-17-43(39)47(45)41-27-23-35(24-28-41)33-19-21-34(22-20-33)36-25-29-42(30-26-36)48-44-18-10-8-16-40(44)32-46(48)38-13-5-2-6-14-38/h1-32H
InChI Key:
OKMXDHJTJGNYDB-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1cc2c(n1c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)n1c(cc3c1cccc3)c1ccccc1)cccc2
Properties
Complexity:
908
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
612.257g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
612.776g/mol
Monoisotopic Mass:
612.257g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
9.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12
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