7-(2,6-diphenyl-4-pyridinyl)-1,3-diphenylbenzo[f]quinoline

C42H28N2 — CID 166569266

IUPAC7-(2,6-diphenyl-4-pyridinyl)-1,3-diphenylbenzo[f]quinoline
SMILESc1ccc(-c2cc(-c3cccc4c3ccc3nc(-c5ccccc5)cc(-c5ccccc5)c34)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C42H28N2/c1-5-14-29(15-6-1)37-28-41(32-20-11-4-12-21-32)43-38-25-24-35-34(22-13-23-36(35)42(37)38)33-26-39(30-16-7-2-8-17-30)44-40(27-33)31-18-9-3-10-19-31/h1-28H
InChIKeyCGRBMOYJDOMDJQ-UHFFFAOYSA-N
MW560.70 g/mol
LogP11.12
Rot. Bonds5

About 7-(2,6-diphenyl-4-pyridinyl)-1,3-diphenylbenzo[f]quinoline

7-(2,6-diphenyl-4-pyridinyl)-1,3-diphenylbenzo[f]quinoline (PubChem CID 166569266) has the molecular formula C42H28N2 and a molecular weight of 560.70 g/mol. Its IUPAC name is 7-(2,6-diphenyl-4-pyridinyl)-1,3-diphenylbenzo[f]quinoline.

Molecular Properties

Compound Name7-(2,6-diphenyl-4-pyridinyl)-1,3-diphenylbenzo[f]quinoline
PubChem CID166569266
Molecular FormulaC42H28N2
Molecular Weight560.70 g/mol
Exact Mass560.23
IUPAC Name7-(2,6-diphenyl-4-pyridinyl)-1,3-diphenylbenzo[f]quinoline
SMILESc1ccc(-c2cc(-c3cccc4c3ccc3nc(-c5ccccc5)cc(-c5ccccc5)c34)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C42H28N2/c1-5-14-29(15-6-1)37-28-41(32-20-11-4-12-21-32)43-38-25-24-35-34(22-13-23-36(35)42(37)38)33-26-39(30-16-7-2-8-17-30)44-40(27-33)31-18-9-3-10-19-31/h1-28H
InChIKeyCGRBMOYJDOMDJQ-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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Related Compounds

1,3-diphenyl-7-[3-[2-phenyl-6-(3-phenylphenyl)-4-pyridinyl]phenyl]benzo[f]quinoline
CID 166568688
7-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-diphenylbenzo[f]quinoline
CID 166569171
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diphenylbenzo[f]quinoline
CID 166569017
[4-(1,3-diphenylbenzo[f]quinolin-7-yl)phenyl]-diphenylphosphane
CID 166569018
1,3-diphenyl-7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[f]quinoline
CID 166568942
7-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-diphenylbenzo[f]quinoline
CID 166569134
1,3-diphenyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[f]quinoline
CID 166569175
7-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-diphenylbenzo[f]quinoline
CID 166569102
6-[2,6-bis(3-phenylphenyl)-4-pyridinyl]-1,3-diphenylbenzo[f]quinoline
CID 166569130
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-naphthalen-2-yl-3-phenylbenzo[f]quinoline
CID 166569182
7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,3-diphenylbenzo[f]quinoline
CID 166568805
6-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-diphenylbenzo[f]quinoline
CID 166569122

Frequently Asked Questions

What is the IUPAC name of 7-(2,6-diphenyl-4-pyridinyl)-1,3-diphenylbenzo[f]quinoline?
The IUPAC name of 7-(2,6-diphenyl-4-pyridinyl)-1,3-diphenylbenzo[f]quinoline (CID 166569266) is 7-(2,6-diphenyl-4-pyridinyl)-1,3-diphenylbenzo[f]quinoline.
What is the SMILES notation for 7-(2,6-diphenyl-4-pyridinyl)-1,3-diphenylbenzo[f]quinoline?
The canonical SMILES for 7-(2,6-diphenyl-4-pyridinyl)-1,3-diphenylbenzo[f]quinoline is c1ccc(-c2cc(-c3cccc4c3ccc3nc(-c5ccccc5)cc(-c5ccccc5)c34)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 7-(2,6-diphenyl-4-pyridinyl)-1,3-diphenylbenzo[f]quinoline?
The InChIKey is CGRBMOYJDOMDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2/c1-5-14-29(15-6-1)37-28-41(32-20-11-4-12-21-32)43-38-25-24-35-34(22-13-23-36(35)42(37)38)33-26-39(30-16-7-2-8-17-30)44-40(27-33)31-18-9-3-10-19-31/h1-28H.
What are the key properties of 7-(2,6-diphenyl-4-pyridinyl)-1,3-diphenylbenzo[f]quinoline?
7-(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 7-(2,6-diphenyl-4-pyridinyl)-1,3-diphenylbenzo[f]quinoline is sourced from PubChem (CID 166569266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).