1-(1-benzofuran-2-yl)-3-pyridin-3-ylbenzo[f]quinoline

C26H16N2O — CID 15271377

IUPAC1-(1-benzofuran-2-yl)-3-pyridin-3-ylbenzo[f]quinoline
SMILESc1cncc(-c2cc(-c3cc4ccccc4o3)c3c(ccc4ccccc43)n2)c1
InChIInChI=1S/C26H16N2O/c1-3-9-20-17(6-1)11-12-22-26(20)21(15-23(28-22)19-8-5-13-27-16-19)25-14-18-7-2-4-10-24(18)29-25/h1-16H
InChIKeyBHSCXFLZFBIWMU-UHFFFAOYSA-N
MW372.43 g/mol
LogP6.86
Rot. Bonds2

About 1-(1-benzofuran-2-yl)-3-pyridin-3-ylbenzo[f]quinoline

1-(1-benzofuran-2-yl)-3-pyridin-3-ylbenzo[f]quinoline (PubChem CID 15271377) has the molecular formula C26H16N2O and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-3-pyridin-3-ylbenzo[f]quinoline.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-3-pyridin-3-ylbenzo[f]quinoline
PubChem CID15271377
Molecular FormulaC26H16N2O
Molecular Weight372.43 g/mol
Exact Mass372.13
IUPAC Name1-(1-benzofuran-2-yl)-3-pyridin-3-ylbenzo[f]quinoline
SMILESc1cncc(-c2cc(-c3cc4ccccc4o3)c3c(ccc4ccccc43)n2)c1
InChIInChI=1S/C26H16N2O/c1-3-9-20-17(6-1)11-12-22-26(20)21(15-23(28-22)19-8-5-13-27-16-19)25-14-18-7-2-4-10-24(18)29-25/h1-16H
InChIKeyBHSCXFLZFBIWMU-UHFFFAOYSA-N
XLogP6.86
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.43
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-benzofuran-2-yl)-3-phenylbenzo[f]quinoline
CID 15271371
1-phenyl-3-pyridin-3-ylbenzo[f]quinoline
CID 2248804
3-[3-(2,6-dipyridin-3-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline
CID 146185411
3-[3-(4,6-dipyridin-3-ylpyrimidin-2-yl)phenyl]-1-phenylbenzo[f]quinoline
CID 146185536
3-[4-[4-(2,6-dipyridin-3-ylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-1-phenylbenzo[f]quinoline
CID 146185312
3-pyridin-3-ylbenzo[f]quinoline-1-carboxylate
CID 7037984
1-phenyl-3-pyridin-4-ylbenzo[f]quinoline chloride
CID 53347208
3-phenyl-1-[4-[4-(4-pyridin-3-yl-6-pyridin-4-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzo[f]quinoline
CID 146185651
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
2-(1-benzofuran-2-yl)-3,6-diphenyl-5-(4-pyridin-3-ylphenyl)pyrazine
CID 156509356
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
1-[4-(4-isoquinolin-5-ylphenyl)phenyl]-3-phenylbenzo[f]quinoline
CID 138643909

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-3-pyridin-3-ylbenzo[f]quinoline?
The IUPAC name of 1-(1-benzofuran-2-yl)-3-pyridin-3-ylbenzo[f]quinoline (CID 15271377) is 1-(1-benzofuran-2-yl)-3-pyridin-3-ylbenzo[f]quinoline.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-3-pyridin-3-ylbenzo[f]quinoline?
The canonical SMILES for 1-(1-benzofuran-2-yl)-3-pyridin-3-ylbenzo[f]quinoline is c1cncc(-c2cc(-c3cc4ccccc4o3)c3c(ccc4ccccc43)n2)c1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-3-pyridin-3-ylbenzo[f]quinoline?
The InChIKey is BHSCXFLZFBIWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N2O/c1-3-9-20-17(6-1)11-12-22-26(20)21(15-23(28-22)19-8-5-13-27-16-19)25-14-18-7-2-4-10-24(18)29-25/h1-16H.
What are the key properties of 1-(1-benzofuran-2-yl)-3-pyridin-3-ylbenzo[f]quinoline?
1-(1-benzofuran-2-yl)-3-pyridin-3-ylbenzo[f]quinoline has a molecular weight of 372.43 g/mol, XLogP of 6.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-3-pyridin-3-ylbenzo[f]quinoline is sourced from PubChem (CID 15271377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).