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3837-42-1 | Benzo[f]quinoline, 1,3-diphenyl-
CAS No: 3837-42-1 Catalog No: AG0079Y0 MDL No:
Product Description
Catalog Number:
AG0079Y0
Chemical Name:
Benzo[f]quinoline, 1,3-diphenyl-
CAS Number:
3837-42-1
Molecular Formula:
C25H17N
Molecular Weight:
331.4092
IUPAC Name:
1,3-diphenylbenzo[f]quinoline
InChI:
InChI=1S/C25H17N/c1-3-9-18(10-4-1)22-17-24(20-12-5-2-6-13-20)26-23-16-15-19-11-7-8-14-21(19)25(22)23/h1-17H
InChI Key:
VVGPJJDXVQKKFH-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1cc(nc2c1c1ccccc1cc2)c1ccccc1
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.136g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.418g/mol
Monoisotopic Mass:
331.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
Literature
| Title | Journal |
|---|---|
| Prediction of genotoxicity of chemical compounds by statistical learning methods. | Chemical research in toxicology 20050601 |
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