4-ethyl-10-phenyl-8-pyridin-2-yl-4,7-phenanthrolin-3-one

C25H19N3O — CID 135017697

IUPAC4-ethyl-10-phenyl-8-pyridin-2-yl-4,7-phenanthrolin-3-one
SMILESCCn1c(=O)ccc2c3c(-c4ccccc4)cc(-c4ccccn4)nc3ccc21
InChIInChI=1S/C25H19N3O/c1-2-28-23-13-12-21-25(18(23)11-14-24(28)29)19(17-8-4-3-5-9-17)16-22(27-21)20-10-6-7-15-26-20/h3-16H,2H2,1H3
InChIKeyZHQAUBIKPFSNBY-UHFFFAOYSA-N
MW377.45 g/mol
LogP5.30
Rot. Bonds3

About 4-ethyl-10-phenyl-8-pyridin-2-yl-4,7-phenanthrolin-3-one

4-ethyl-10-phenyl-8-pyridin-2-yl-4,7-phenanthrolin-3-one (PubChem CID 135017697) has the molecular formula C25H19N3O and a molecular weight of 377.45 g/mol. Its IUPAC name is 4-ethyl-10-phenyl-8-pyridin-2-yl-4,7-phenanthrolin-3-one.

Molecular Properties

Compound Name4-ethyl-10-phenyl-8-pyridin-2-yl-4,7-phenanthrolin-3-one
PubChem CID135017697
Molecular FormulaC25H19N3O
Molecular Weight377.45 g/mol
Exact Mass377.15
IUPAC Name4-ethyl-10-phenyl-8-pyridin-2-yl-4,7-phenanthrolin-3-one
SMILESCCn1c(=O)ccc2c3c(-c4ccccc4)cc(-c4ccccn4)nc3ccc21
InChIInChI=1S/C25H19N3O/c1-2-28-23-13-12-21-25(18(23)11-14-24(28)29)19(17-8-4-3-5-9-17)16-22(27-21)20-10-6-7-15-26-20/h3-16H,2H2,1H3
InChIKeyZHQAUBIKPFSNBY-UHFFFAOYSA-N
XLogP5.30
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.45
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-ethyl-2-phenyl-[1,3]thiazolo[5,4-f]quinolin-7-one
CID 102105500
8-(3-chlorophenyl)-4-methyl-10-phenyl-4,7-phenanthrolin-3-one
CID 135017230
9-ethyl-3-(3-pyridin-2-ylphenyl)carbazole
CID 58435161
1-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-phenylbenzo[f]quinoline
CID 146185389
1-[4-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-3-phenylbenzo[f]quinoline;1-[4-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline;1-[4-[4-(4,6-dipyridin-3-ylpyrimidin-2-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline;3-phenyl-1-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]benzo[f]quinoline
CID 160543284
3-[4-(2,6-dipyridin-2-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline;3-[4-(2,6-dipyridin-3-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline;3-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline
CID 159183116
2-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline
CID 138643771
3,8-dipyridin-2-yl-4,7-phenanthroline
CID 91243626
1-phenyl-3-pyridin-3-ylbenzo[f]quinoline
CID 2248804
4-phenyl-6-[4-[2-[4-(4-phenyl-2-pyridin-2-ylquinolin-6-yl)phenyl]propan-2-yl]phenyl]-2-pyridin-2-ylquinoline
CID 130392309
1-phenyl-3-pyridin-4-ylbenzo[f]quinoline chloride
CID 53347208
5-[4-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline
CID 138644043

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-10-phenyl-8-pyridin-2-yl-4,7-phenanthrolin-3-one?
The IUPAC name of 4-ethyl-10-phenyl-8-pyridin-2-yl-4,7-phenanthrolin-3-one (CID 135017697) is 4-ethyl-10-phenyl-8-pyridin-2-yl-4,7-phenanthrolin-3-one.
What is the SMILES notation for 4-ethyl-10-phenyl-8-pyridin-2-yl-4,7-phenanthrolin-3-one?
The canonical SMILES for 4-ethyl-10-phenyl-8-pyridin-2-yl-4,7-phenanthrolin-3-one is CCn1c(=O)ccc2c3c(-c4ccccc4)cc(-c4ccccn4)nc3ccc21.
What is the InChIKey of 4-ethyl-10-phenyl-8-pyridin-2-yl-4,7-phenanthrolin-3-one?
The InChIKey is ZHQAUBIKPFSNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O/c1-2-28-23-13-12-21-25(18(23)11-14-24(28)29)19(17-8-4-3-5-9-17)16-22(27-21)20-10-6-7-15-26-20/h3-16H,2H2,1H3.
What are the key properties of 4-ethyl-10-phenyl-8-pyridin-2-yl-4,7-phenanthrolin-3-one?
4-ethyl-10-phenyl-8-pyridin-2-yl-4,7-phenanthrolin-3-one has a molecular weight of 377.45 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-10-phenyl-8-pyridin-2-yl-4,7-phenanthrolin-3-one is sourced from PubChem (CID 135017697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).