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89374-14-1 | Methanone, [3,5-diphenyl-1-(3-pyridinyl)-1H-pyrrol-2-yl]phenyl-
CAS No: 89374-14-1 Catalog No: AG003WGC MDL No:
Product Description
Catalog Number:
AG003WGC
Chemical Name:
Methanone, [3,5-diphenyl-1-(3-pyridinyl)-1H-pyrrol-2-yl]phenyl-
CAS Number:
89374-14-1
Molecular Formula:
C28H20N2O
Molecular Weight:
400.4712
IUPAC Name:
(3,5-diphenyl-1-pyridin-3-ylpyrrol-2-yl)-phenylmethanone
InChI:
InChI=1S/C28H20N2O/c31-28(23-15-8-3-9-16-23)27-25(21-11-4-1-5-12-21)19-26(22-13-6-2-7-14-22)30(27)24-17-10-18-29-20-24/h1-20H
InChI Key:
QMQPNDZAAOTETE-UHFFFAOYSA-N
SMILES:
O=C(c1c(cc(n1c1cccnc1)c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
574
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.158g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.481g/mol
Monoisotopic Mass:
400.158g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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