1,3-diphenylbenzo[f]quinoline

C25H17N — CID 3094016

IUPAC1,3-diphenylbenzo[f]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)c3c(ccc4ccccc43)n2)cc1
InChIInChI=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
InChIKeyVVGPJJDXVQKKFH-UHFFFAOYSA-N
MW331.42 g/mol
LogP6.72
Rot. Bonds2

About 1,3-diphenylbenzo[f]quinoline

1,3-diphenylbenzo[f]quinoline (PubChem CID 3094016) has the molecular formula C25H17N and a molecular weight of 331.42 g/mol. Its IUPAC name is 1,3-diphenylbenzo[f]quinoline.

Molecular Properties

Compound Name1,3-diphenylbenzo[f]quinoline
PubChem CID3094016
Molecular FormulaC25H17N
Molecular Weight331.42 g/mol
Exact Mass331.14
IUPAC Name1,3-diphenylbenzo[f]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)c3c(ccc4ccccc43)n2)cc1
InChIInChI=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
InChIKeyVVGPJJDXVQKKFH-UHFFFAOYSA-N
XLogP6.72
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,3-diphenylbenzo[f]quinoline?
The IUPAC name of 1,3-diphenylbenzo[f]quinoline (CID 3094016) is 1,3-diphenylbenzo[f]quinoline.
What is the SMILES notation for 1,3-diphenylbenzo[f]quinoline?
The canonical SMILES for 1,3-diphenylbenzo[f]quinoline is c1ccc(-c2cc(-c3ccccc3)c3c(ccc4ccccc43)n2)cc1.
What is the InChIKey of 1,3-diphenylbenzo[f]quinoline?
The InChIKey is VVGPJJDXVQKKFH-UHFFFAOYSA-N. The full InChI is 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.
What are the key properties of 1,3-diphenylbenzo[f]quinoline?
1,3-diphenylbenzo[f]quinoline has a molecular weight of 331.42 g/mol, XLogP of 6.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylbenzo[f]quinoline is sourced from PubChem (CID 3094016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).