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86193-55-7 | 3(7H)-Indolizinone, 7,7'-(1,2-ethanediylidene)bis[1,2-diphenyl-
CAS No: 86193-55-7 Catalog No: AG004K5W MDL No:
Product Description
Catalog Number:
AG004K5W
Chemical Name:
3(7H)-Indolizinone, 7,7'-(1,2-ethanediylidene)bis[1,2-diphenyl-
CAS Number:
86193-55-7
Molecular Formula:
C42H28N2O2
Molecular Weight:
592.6839
IUPAC Name:
7-[2-(3-oxo-1,2-diphenylindolizin-7-ylidene)ethylidene]-1,2-diphenylindolizin-3-one
InChI:
InChI=1S/C42H28N2O2/c45-41-39(33-17-9-3-10-18-33)37(31-13-5-1-6-14-31)35-27-29(23-25-43(35)41)21-22-30-24-26-44-36(28-30)38(32-15-7-2-8-16-32)40(42(44)46)34-19-11-4-12-20-34/h1-28H
InChI Key:
YUZHBGHJTBUHHN-UHFFFAOYSA-N
SMILES:
O=C1C(=C(c2n1ccc(=CC=c1ccn3c(c1)C(=C(C3=O)c1ccccc1)c1ccccc1)c2)c1ccccc1)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:
2
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:
6.9
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