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Home > Indoles and Oxindole > 86221-98-9
86221-98-9 | 1(7H)-Indolizinone, 7-(1-oxo-2(1H)-naphthalenylidene)-2,3-diphenyl-
CAS No: 86221-98-9 Catalog No: AG004JTT MDL No:
Product Description
Catalog Number:
AG004JTT
Chemical Name:
1(7H)-Indolizinone, 7-(1-oxo-2(1H)-naphthalenylidene)-2,3-diphenyl-
CAS Number:
86221-98-9
Molecular Formula:
C30H19NO2
Molecular Weight:
425.4774
IUPAC Name:
7-(1-oxonaphthalen-2-ylidene)-2,3-diphenylindolizin-1-one
InChI:
InChI=1S/C30H19NO2/c32-29-24-14-8-7-9-20(24)15-16-25(29)23-17-18-31-26(19-23)30(33)27(21-10-3-1-4-11-21)28(31)22-12-5-2-6-13-22/h1-19H
InChI Key:
QVXPVNSQGLDEBP-UHFFFAOYSA-N
SMILES:
O=C1C(=c2ccn3c(c2)C(=O)C(=C3c2ccccc2)c2ccccc2)C=Cc2c1cccc2
Properties
Complexity:
994
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
425.142g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
425.487g/mol
Monoisotopic Mass:
425.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.2
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