1-phenyl-3-pyridin-3-ylbenzo[f]quinoline

C24H16N2 — CID 2248804

IUPAC1-phenyl-3-pyridin-3-ylbenzo[f]quinoline
SMILESc1ccc(-c2cc(-c3cccnc3)nc3ccc4ccccc4c23)cc1
InChIInChI=1S/C24H16N2/c1-2-7-17(8-3-1)21-15-23(19-10-6-14-25-16-19)26-22-13-12-18-9-4-5-11-20(18)24(21)22/h1-16H
InChIKeyBUTGOHFSAALWDY-UHFFFAOYSA-N
MW332.41 g/mol
LogP6.12
Rot. Bonds2

About 1-phenyl-3-pyridin-3-ylbenzo[f]quinoline

1-phenyl-3-pyridin-3-ylbenzo[f]quinoline (PubChem CID 2248804) has the molecular formula C24H16N2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 1-phenyl-3-pyridin-3-ylbenzo[f]quinoline.

Molecular Properties

Compound Name1-phenyl-3-pyridin-3-ylbenzo[f]quinoline
PubChem CID2248804
Molecular FormulaC24H16N2
Molecular Weight332.41 g/mol
Exact Mass332.13
IUPAC Name1-phenyl-3-pyridin-3-ylbenzo[f]quinoline
SMILESc1ccc(-c2cc(-c3cccnc3)nc3ccc4ccccc4c23)cc1
InChIInChI=1S/C24H16N2/c1-2-7-17(8-3-1)21-15-23(19-10-6-14-25-16-19)26-22-13-12-18-9-4-5-11-20(18)24(21)22/h1-16H
InChIKeyBUTGOHFSAALWDY-UHFFFAOYSA-N
XLogP6.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.41
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-pyridin-3-ylbenzo[f]quinoline?
The IUPAC name of 1-phenyl-3-pyridin-3-ylbenzo[f]quinoline (CID 2248804) is 1-phenyl-3-pyridin-3-ylbenzo[f]quinoline.
What is the SMILES notation for 1-phenyl-3-pyridin-3-ylbenzo[f]quinoline?
The canonical SMILES for 1-phenyl-3-pyridin-3-ylbenzo[f]quinoline is c1ccc(-c2cc(-c3cccnc3)nc3ccc4ccccc4c23)cc1.
What is the InChIKey of 1-phenyl-3-pyridin-3-ylbenzo[f]quinoline?
The InChIKey is BUTGOHFSAALWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2/c1-2-7-17(8-3-1)21-15-23(19-10-6-14-25-16-19)26-22-13-12-18-9-4-5-11-20(18)24(21)22/h1-16H.
What are the key properties of 1-phenyl-3-pyridin-3-ylbenzo[f]quinoline?
1-phenyl-3-pyridin-3-ylbenzo[f]quinoline has a molecular weight of 332.41 g/mol, XLogP of 6.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-pyridin-3-ylbenzo[f]quinoline is sourced from PubChem (CID 2248804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).