5-(2,6-diphenyl-4-pyridinyl)-1,3-diphenylbenzo[f]quinoline

C42H28N2 — CID 166569068

IUPAC5-(2,6-diphenyl-4-pyridinyl)-1,3-diphenylbenzo[f]quinoline
SMILESc1ccc(-c2cc(-c3cc4ccccc4c4c(-c5ccccc5)cc(-c5ccccc5)nc34)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C42H28N2/c1-5-15-29(16-6-1)36-28-40(32-21-11-4-12-22-32)44-42-37(25-33-23-13-14-24-35(33)41(36)42)34-26-38(30-17-7-2-8-18-30)43-39(27-34)31-19-9-3-10-20-31/h1-28H
InChIKeyVLGFFHLBOBORJZ-UHFFFAOYSA-N
MW560.70 g/mol
LogP11.12
Rot. Bonds5

About 5-(2,6-diphenyl-4-pyridinyl)-1,3-diphenylbenzo[f]quinoline

5-(2,6-diphenyl-4-pyridinyl)-1,3-diphenylbenzo[f]quinoline (PubChem CID 166569068) has the molecular formula C42H28N2 and a molecular weight of 560.70 g/mol. Its IUPAC name is 5-(2,6-diphenyl-4-pyridinyl)-1,3-diphenylbenzo[f]quinoline.

Molecular Properties

Compound Name5-(2,6-diphenyl-4-pyridinyl)-1,3-diphenylbenzo[f]quinoline
PubChem CID166569068
Molecular FormulaC42H28N2
Molecular Weight560.70 g/mol
Exact Mass560.23
IUPAC Name5-(2,6-diphenyl-4-pyridinyl)-1,3-diphenylbenzo[f]quinoline
SMILESc1ccc(-c2cc(-c3cc4ccccc4c4c(-c5ccccc5)cc(-c5ccccc5)nc34)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C42H28N2/c1-5-15-29(16-6-1)36-28-40(32-21-11-4-12-22-32)44-42-37(25-33-23-13-14-24-35(33)41(36)42)34-26-38(30-17-7-2-8-18-30)43-39(27-34)31-19-9-3-10-20-31/h1-28H
InChIKeyVLGFFHLBOBORJZ-UHFFFAOYSA-N
XLogP11.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.70
LogP ≤ 511.12
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 5-(2,6-diphenyl-4-pyridinyl)-1,3-diphenylbenzo[f]quinoline?
The IUPAC name of 5-(2,6-diphenyl-4-pyridinyl)-1,3-diphenylbenzo[f]quinoline (CID 166569068) is 5-(2,6-diphenyl-4-pyridinyl)-1,3-diphenylbenzo[f]quinoline.
What is the SMILES notation for 5-(2,6-diphenyl-4-pyridinyl)-1,3-diphenylbenzo[f]quinoline?
The canonical SMILES for 5-(2,6-diphenyl-4-pyridinyl)-1,3-diphenylbenzo[f]quinoline is c1ccc(-c2cc(-c3cc4ccccc4c4c(-c5ccccc5)cc(-c5ccccc5)nc34)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 5-(2,6-diphenyl-4-pyridinyl)-1,3-diphenylbenzo[f]quinoline?
The InChIKey is VLGFFHLBOBORJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2/c1-5-15-29(16-6-1)36-28-40(32-21-11-4-12-22-32)44-42-37(25-33-23-13-14-24-35(33)41(36)42)34-26-38(30-17-7-2-8-18-30)43-39(27-34)31-19-9-3-10-20-31/h1-28H.
What are the key properties of 5-(2,6-diphenyl-4-pyridinyl)-1,3-diphenylbenzo[f]quinoline?
5-(2,6-diphenyl-4-pyridinyl)-1,3-diphenylbenzo[f]quinoline has a molecular weight of 560.70 g/mol, XLogP of 11.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-diphenyl-4-pyridinyl)-1,3-diphenylbenzo[f]quinoline is sourced from PubChem (CID 166569068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).