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113168-54-0 | 2H-Indol-2-one, 1,3-dihydro-1-phenyl-3,3-bis(2-pyridinylmethyl)-
CAS No: 113168-54-0 Catalog No: AG007T2Q MDL No:
Product Description
Catalog Number:
AG007T2Q
Chemical Name:
2H-Indol-2-one, 1,3-dihydro-1-phenyl-3,3-bis(2-pyridinylmethyl)-
CAS Number:
113168-54-0
Molecular Formula:
C26H21N3O
Molecular Weight:
391.4644
IUPAC Name:
1-phenyl-3,3-bis(pyridin-2-ylmethyl)indol-2-one
InChI:
InChI=1S/C26H21N3O/c30-25-26(18-20-10-6-8-16-27-20,19-21-11-7-9-17-28-21)23-14-4-5-15-24(23)29(25)22-12-2-1-3-13-22/h1-17H,18-19H2
InChI Key:
RSQOHUBUVUBKMJ-UHFFFAOYSA-N
SMILES:
O=C1N(c2ccccc2)c2c(C1(Cc1ccccn1)Cc1ccccn1)cccc2
Properties
Complexity:
567
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.168g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
391.474g/mol
Monoisotopic Mass:
391.168g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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