1,3-bis(4-chlorophenyl)benzo[f]quinoline

C25H15Cl2N — CID 17201997

IUPAC1,3-bis(4-chlorophenyl)benzo[f]quinoline
SMILESClc1ccc(-c2cc(-c3ccc(Cl)cc3)c3c(ccc4ccccc43)n2)cc1
InChIInChI=1S/C25H15Cl2N/c26-19-10-5-17(6-11-19)22-15-24(18-7-12-20(27)13-8-18)28-23-14-9-16-3-1-2-4-21(16)25(22)23/h1-15H
InChIKeyOXOWMPZDCSKDJH-UHFFFAOYSA-N
MW400.31 g/mol
LogP8.03
Rot. Bonds2

About 1,3-bis(4-chlorophenyl)benzo[f]quinoline

1,3-bis(4-chlorophenyl)benzo[f]quinoline (PubChem CID 17201997) has the molecular formula C25H15Cl2N and a molecular weight of 400.31 g/mol. Its IUPAC name is 1,3-bis(4-chlorophenyl)benzo[f]quinoline.

Molecular Properties

Compound Name1,3-bis(4-chlorophenyl)benzo[f]quinoline
PubChem CID17201997
Molecular FormulaC25H15Cl2N
Molecular Weight400.31 g/mol
Exact Mass399.06
IUPAC Name1,3-bis(4-chlorophenyl)benzo[f]quinoline
SMILESClc1ccc(-c2cc(-c3ccc(Cl)cc3)c3c(ccc4ccccc43)n2)cc1
InChIInChI=1S/C25H15Cl2N/c26-19-10-5-17(6-11-19)22-15-24(18-7-12-20(27)13-8-18)28-23-14-9-16-3-1-2-4-21(16)25(22)23/h1-15H
InChIKeyOXOWMPZDCSKDJH-UHFFFAOYSA-N
XLogP8.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.31
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,3-bis(4-chlorophenyl)benzo[f]quinoline?
The IUPAC name of 1,3-bis(4-chlorophenyl)benzo[f]quinoline (CID 17201997) is 1,3-bis(4-chlorophenyl)benzo[f]quinoline.
What is the SMILES notation for 1,3-bis(4-chlorophenyl)benzo[f]quinoline?
The canonical SMILES for 1,3-bis(4-chlorophenyl)benzo[f]quinoline is Clc1ccc(-c2cc(-c3ccc(Cl)cc3)c3c(ccc4ccccc43)n2)cc1.
What is the InChIKey of 1,3-bis(4-chlorophenyl)benzo[f]quinoline?
The InChIKey is OXOWMPZDCSKDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15Cl2N/c26-19-10-5-17(6-11-19)22-15-24(18-7-12-20(27)13-8-18)28-23-14-9-16-3-1-2-4-21(16)25(22)23/h1-15H.
What are the key properties of 1,3-bis(4-chlorophenyl)benzo[f]quinoline?
1,3-bis(4-chlorophenyl)benzo[f]quinoline has a molecular weight of 400.31 g/mol, XLogP of 8.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-chlorophenyl)benzo[f]quinoline is sourced from PubChem (CID 17201997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).