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

C27H17NO — CID 15271371

IUPAC1-(1-benzofuran-2-yl)-3-phenylbenzo[f]quinoline
SMILESc1ccc(-c2cc(-c3cc4ccccc4o3)c3c(ccc4ccccc43)n2)cc1
InChIInChI=1S/C27H17NO/c1-2-9-19(10-3-1)24-17-22(26-16-20-11-5-7-13-25(20)29-26)27-21-12-6-4-8-18(21)14-15-23(27)28-24/h1-17H
InChIKeyQUFMZQNZRBEABK-UHFFFAOYSA-N
MW371.44 g/mol
LogP7.47
Rot. Bonds2

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

1-(1-benzofuran-2-yl)-3-phenylbenzo[f]quinoline (PubChem CID 15271371) has the molecular formula C27H17NO and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-3-phenylbenzo[f]quinoline.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-3-phenylbenzo[f]quinoline
PubChem CID15271371
Molecular FormulaC27H17NO
Molecular Weight371.44 g/mol
Exact Mass371.13
IUPAC Name1-(1-benzofuran-2-yl)-3-phenylbenzo[f]quinoline
SMILESc1ccc(-c2cc(-c3cc4ccccc4o3)c3c(ccc4ccccc43)n2)cc1
InChIInChI=1S/C27H17NO/c1-2-9-19(10-3-1)24-17-22(26-16-20-11-5-7-13-25(20)29-26)27-21-12-6-4-8-18(21)14-15-23(27)28-24/h1-17H
InChIKeyQUFMZQNZRBEABK-UHFFFAOYSA-N
XLogP7.47
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 57.47
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-(1-benzofuran-2-yl)-3-pyridin-3-ylbenzo[f]quinoline
CID 15271377
1-phenyl-3-pyridin-4-ylbenzo[f]quinoline chloride
CID 53347208
1-phenyl-3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[f]quinoline
CID 146185311
3-(4-fluorophenyl)-1-phenylbenzo[f]quinoline
CID 17202000
3-phenyl-1-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]benzo[f]quinoline
CID 146185541
3-phenyl-1-[3-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[f]quinoline
CID 146185486
3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[f]quinoline
CID 146185305
1-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-3-phenylbenzo[f]quinoline
CID 146185485
4-(1-benzofuran-2-yl)-6-(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)pyrimidine
CID 146183135
1,3-bis(4-chlorophenyl)benzo[f]quinoline
CID 17201997
1-phenyl-3-pyridin-3-ylbenzo[f]quinoline
CID 2248804
1-[3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-3-phenylbenzo[f]quinoline
CID 138643962

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-3-phenylbenzo[f]quinoline?
The IUPAC name of 1-(1-benzofuran-2-yl)-3-phenylbenzo[f]quinoline (CID 15271371) is 1-(1-benzofuran-2-yl)-3-phenylbenzo[f]quinoline.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-3-phenylbenzo[f]quinoline?
The canonical SMILES for 1-(1-benzofuran-2-yl)-3-phenylbenzo[f]quinoline is c1ccc(-c2cc(-c3cc4ccccc4o3)c3c(ccc4ccccc43)n2)cc1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-3-phenylbenzo[f]quinoline?
The InChIKey is QUFMZQNZRBEABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17NO/c1-2-9-19(10-3-1)24-17-22(26-16-20-11-5-7-13-25(20)29-26)27-21-12-6-4-8-18(21)14-15-23(27)28-24/h1-17H.
What are the key properties of 1-(1-benzofuran-2-yl)-3-phenylbenzo[f]quinoline?
1-(1-benzofuran-2-yl)-3-phenylbenzo[f]quinoline has a molecular weight of 371.44 g/mol, XLogP of 7.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-3-phenylbenzo[f]quinoline is sourced from PubChem (CID 15271371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).