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89449-76-3 | Methanone, (3,6-diphenyl-4,5-pyridazinediyl)bis[phenyl-
CAS No: 89449-76-3 Catalog No: AG0044EH MDL No:
Product Description
Catalog Number:
AG0044EH
Chemical Name:
Methanone, (3,6-diphenyl-4,5-pyridazinediyl)bis[phenyl-
CAS Number:
89449-76-3
Molecular Formula:
C30H20N2O2
Molecular Weight:
440.4920
IUPAC Name:
(5-benzoyl-3,6-diphenylpyridazin-4-yl)-phenylmethanone
InChI:
InChI=1S/C30H20N2O2/c33-29(23-17-9-3-10-18-23)25-26(30(34)24-19-11-4-12-20-24)28(22-15-7-2-8-16-22)32-31-27(25)21-13-5-1-6-14-21/h1-20H
InChI Key:
NZBPDNZPQSTNPP-UHFFFAOYSA-N
SMILES:
O=C(c1c(C(=O)c2ccccc2)c(nnc1c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
611
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.152g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
440.502g/mol
Monoisotopic Mass:
440.152g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
59.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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