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86193-57-9 | 1(7H)-Indolizinone, 7,7'-(1,2-ethanediylidene)bis[2,3-diphenyl-
CAS No: 86193-57-9 Catalog No: AG004K5V MDL No:
Product Description
Catalog Number:
AG004K5V
Chemical Name:
1(7H)-Indolizinone, 7,7'-(1,2-ethanediylidene)bis[2,3-diphenyl-
CAS Number:
86193-57-9
Molecular Formula:
C42H28N2O2
Molecular Weight:
592.6839
IUPAC Name:
7-[2-(1-oxo-2,3-diphenylindolizin-7-ylidene)ethylidene]-2,3-diphenylindolizin-1-one
InChI:
InChI=1S/C42H28N2O2/c45-41-35-27-29(23-25-43(35)39(33-17-9-3-10-18-33)37(41)31-13-5-1-6-14-31)21-22-30-24-26-44-36(28-30)42(46)38(32-15-7-2-8-16-32)40(44)34-19-11-4-12-20-34/h1-28H
InChI Key:
XGFMESLJUPSHLO-UHFFFAOYSA-N
SMILES:
O=C1c2cc(=CC=c3ccn4c(c3)C(=O)C(=C4c3ccccc3)c3ccccc3)ccn2C(=C1c1ccccc1)c1ccccc1
Properties
Complexity:
1390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
592.215g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
592.698g/mol
Monoisotopic Mass:
592.215g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
8.6
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