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849091-80-1 | 1,10-Phenanthroline-5,6-dione, 2,9-dimethyl-4,7-diphenyl-
CAS No: 849091-80-1 Catalog No: AG004PUF MDL No:
Product Description
Catalog Number:
AG004PUF
Chemical Name:
1,10-Phenanthroline-5,6-dione, 2,9-dimethyl-4,7-diphenyl-
CAS Number:
849091-80-1
Molecular Formula:
C26H18N2O2
Molecular Weight:
390.4333
IUPAC Name:
2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-5,6-dione
InChI:
InChI=1S/C26H18N2O2/c1-15-13-19(17-9-5-3-6-10-17)21-23(27-15)24-22(26(30)25(21)29)20(14-16(2)28-24)18-11-7-4-8-12-18/h3-14H,1-2H3
InChI Key:
QFDXZMPOONJSCC-UHFFFAOYSA-N
SMILES:
Cc1nc2c3nc(C)cc(c3C(=O)C(=O)c2c(c1)c1ccccc1)c1ccccc1
Properties
Complexity:
595
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.137g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.442g/mol
Monoisotopic Mass:
390.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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