8-(3-chlorophenyl)-4-methyl-10-phenyl-4,7-phenanthrolin-3-one

C25H17ClN2O — CID 135017230

IUPAC8-(3-chlorophenyl)-4-methyl-10-phenyl-4,7-phenanthrolin-3-one
SMILESCn1c(=O)ccc2c3c(-c4ccccc4)cc(-c4cccc(Cl)c4)nc3ccc21
InChIInChI=1S/C25H17ClN2O/c1-28-23-12-11-21-25(19(23)10-13-24(28)29)20(16-6-3-2-4-7-16)15-22(27-21)17-8-5-9-18(26)14-17/h2-15H,1H3
InChIKeyACNZYYMZUHCSNW-UHFFFAOYSA-N
MW396.88 g/mol
LogP6.07
Rot. Bonds2

About 8-(3-chlorophenyl)-4-methyl-10-phenyl-4,7-phenanthrolin-3-one

8-(3-chlorophenyl)-4-methyl-10-phenyl-4,7-phenanthrolin-3-one (PubChem CID 135017230) has the molecular formula C25H17ClN2O and a molecular weight of 396.88 g/mol. Its IUPAC name is 8-(3-chlorophenyl)-4-methyl-10-phenyl-4,7-phenanthrolin-3-one.

Molecular Properties

Compound Name8-(3-chlorophenyl)-4-methyl-10-phenyl-4,7-phenanthrolin-3-one
PubChem CID135017230
Molecular FormulaC25H17ClN2O
Molecular Weight396.88 g/mol
Exact Mass396.10
IUPAC Name8-(3-chlorophenyl)-4-methyl-10-phenyl-4,7-phenanthrolin-3-one
SMILESCn1c(=O)ccc2c3c(-c4ccccc4)cc(-c4cccc(Cl)c4)nc3ccc21
InChIInChI=1S/C25H17ClN2O/c1-28-23-12-11-21-25(19(23)10-13-24(28)29)20(16-6-3-2-4-7-16)15-22(27-21)17-8-5-9-18(26)14-17/h2-15H,1H3
InChIKeyACNZYYMZUHCSNW-UHFFFAOYSA-N
XLogP6.07
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.88
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-10-phenyl-8-pyridin-2-yl-4,7-phenanthrolin-3-one
CID 135017697
8-(4-chlorophenyl)-10-phenylpyrano[3,2-f]quinolin-3-one
CID 102129300
7-(2,6-diphenyl-4-pyridinyl)-1,3-diphenylbenzo[f]quinoline
CID 166569266
3-(4-bromophenyl)-1-(3-chlorophenyl)benzo[f]quinoline
CID 44613979
6-(3-chlorophenyl)-2-methylpyridazin-3-one
CID 102592574
1,3-diphenyl-7-[3-[2-phenyl-6-(3-phenylphenyl)-4-pyridinyl]phenyl]benzo[f]quinoline
CID 166568688
1,3-diphenyl-9-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[f]quinoline
CID 166569146
3-(6-chloro-4-phenylquinolin-2-yl)aniline
CID 8966018
[4-(1,3-diphenylbenzo[f]quinolin-7-yl)phenyl]-diphenylphosphane
CID 166569018
8-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-1,3-diphenylbenzo[f]quinoline
CID 166568890
7-chloro-2-(1-methylbenzimidazol-2-yl)-4-phenylquinoline
CID 100818108
1,3-bis(4-chlorophenyl)benzo[f]quinoline
CID 17201997

Frequently Asked Questions

What is the IUPAC name of 8-(3-chlorophenyl)-4-methyl-10-phenyl-4,7-phenanthrolin-3-one?
The IUPAC name of 8-(3-chlorophenyl)-4-methyl-10-phenyl-4,7-phenanthrolin-3-one (CID 135017230) is 8-(3-chlorophenyl)-4-methyl-10-phenyl-4,7-phenanthrolin-3-one.
What is the SMILES notation for 8-(3-chlorophenyl)-4-methyl-10-phenyl-4,7-phenanthrolin-3-one?
The canonical SMILES for 8-(3-chlorophenyl)-4-methyl-10-phenyl-4,7-phenanthrolin-3-one is Cn1c(=O)ccc2c3c(-c4ccccc4)cc(-c4cccc(Cl)c4)nc3ccc21.
What is the InChIKey of 8-(3-chlorophenyl)-4-methyl-10-phenyl-4,7-phenanthrolin-3-one?
The InChIKey is ACNZYYMZUHCSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClN2O/c1-28-23-12-11-21-25(19(23)10-13-24(28)29)20(16-6-3-2-4-7-16)15-22(27-21)17-8-5-9-18(26)14-17/h2-15H,1H3.
What are the key properties of 8-(3-chlorophenyl)-4-methyl-10-phenyl-4,7-phenanthrolin-3-one?
8-(3-chlorophenyl)-4-methyl-10-phenyl-4,7-phenanthrolin-3-one has a molecular weight of 396.88 g/mol, XLogP of 6.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chlorophenyl)-4-methyl-10-phenyl-4,7-phenanthrolin-3-one is sourced from PubChem (CID 135017230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).