1-phenyl-3-pyridin-4-ylbenzo[f]quinoline chloride

C24H16ClN2- — CID 53347208

IUPAC1-phenyl-3-pyridin-4-ylbenzo[f]quinoline chloride
SMILES[Cl-].c1ccc(-c2cc(-c3ccncc3)nc3ccc4ccccc4c23)cc1
InChIInChI=1S/C24H16N2.ClH/c1-2-6-17(7-3-1)21-16-23(19-12-14-25-15-13-19)26-22-11-10-18-8-4-5-9-20(18)24(21)22;/h1-16H;1H/p-1
InChIKeyIPCCTARICWFGHM-UHFFFAOYSA-M
MW367.86 g/mol
LogP3.12
Rot. Bonds2

About 1-phenyl-3-pyridin-4-ylbenzo[f]quinoline chloride

1-phenyl-3-pyridin-4-ylbenzo[f]quinoline chloride (PubChem CID 53347208) has the molecular formula C24H16ClN2- and a molecular weight of 367.86 g/mol. Its IUPAC name is 1-phenyl-3-pyridin-4-ylbenzo[f]quinoline chloride.

Molecular Properties

Compound Name1-phenyl-3-pyridin-4-ylbenzo[f]quinoline chloride
PubChem CID53347208
Molecular FormulaC24H16ClN2-
Molecular Weight367.86 g/mol
Exact Mass367.10
IUPAC Name1-phenyl-3-pyridin-4-ylbenzo[f]quinoline chloride
SMILES[Cl-].c1ccc(-c2cc(-c3ccncc3)nc3ccc4ccccc4c23)cc1
InChIInChI=1S/C24H16N2.ClH/c1-2-6-17(7-3-1)21-16-23(19-12-14-25-15-13-19)26-22-11-10-18-8-4-5-9-20(18)24(21)22;/h1-16H;1H/p-1
InChIKeyIPCCTARICWFGHM-UHFFFAOYSA-M
XLogP3.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 53.12
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-[4-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)naphthalen-1-yl]phenyl]-3-phenylbenzo[f]quinoline
CID 146185478
1-(4-bromophenyl)-3-pyridin-4-ylbenzo[f]quinoline
CID 2248141
3-[4-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-1-phenylbenzo[f]quinoline
CID 146185318
1-phenyl-3-pyridin-3-ylbenzo[f]quinoline
CID 2248804
3-(4-fluorophenyl)-1-phenylbenzo[f]quinoline
CID 17202000
1-phenyl-3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[f]quinoline
CID 146185311
1-[4-(4-isoquinolin-5-ylphenyl)phenyl]-3-phenylbenzo[f]quinoline
CID 138643909
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
3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[f]quinoline
CID 146185305
1,3-bis(4-chlorophenyl)benzo[f]quinoline
CID 17201997
2-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline
CID 138643771
1-[3-(4-isoquinolin-5-ylnaphthalen-1-yl)phenyl]-3-phenylbenzo[f]quinoline
CID 138643705

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-pyridin-4-ylbenzo[f]quinoline chloride?
The IUPAC name of 1-phenyl-3-pyridin-4-ylbenzo[f]quinoline chloride (CID 53347208) is 1-phenyl-3-pyridin-4-ylbenzo[f]quinoline chloride.
What is the SMILES notation for 1-phenyl-3-pyridin-4-ylbenzo[f]quinoline chloride?
The canonical SMILES for 1-phenyl-3-pyridin-4-ylbenzo[f]quinoline chloride is [Cl-].c1ccc(-c2cc(-c3ccncc3)nc3ccc4ccccc4c23)cc1.
What is the InChIKey of 1-phenyl-3-pyridin-4-ylbenzo[f]quinoline chloride?
The InChIKey is IPCCTARICWFGHM-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H16N2.ClH/c1-2-6-17(7-3-1)21-16-23(19-12-14-25-15-13-19)26-22-11-10-18-8-4-5-9-20(18)24(21)22;/h1-16H;1H/p-1.
What are the key properties of 1-phenyl-3-pyridin-4-ylbenzo[f]quinoline chloride?
1-phenyl-3-pyridin-4-ylbenzo[f]quinoline chloride has a molecular weight of 367.86 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-pyridin-4-ylbenzo[f]quinoline chloride is sourced from PubChem (CID 53347208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).