4-(4-chlorophenyl)-6,8-bis(4-fluorophenyl)-2-phenylfuro[3,2-c]quinoline

C35H20ClF2NO — CID 139232879

IUPAC4-(4-chlorophenyl)-6,8-bis(4-fluorophenyl)-2-phenylfuro[3,2-c]quinoline
SMILESFc1ccc(-c2cc(-c3ccc(F)cc3)c3nc(-c4ccc(Cl)cc4)c4cc(-c5ccccc5)oc4c3c2)cc1
InChIInChI=1S/C35H20ClF2NO/c36-26-12-6-24(7-13-26)33-31-20-32(23-4-2-1-3-5-23)40-35(31)30-19-25(21-8-14-27(37)15-9-21)18-29(34(30)39-33)22-10-16-28(38)17-11-22/h1-20H
InChIKeyZLTRIGUKKCCKAB-UHFFFAOYSA-N
MW544.00 g/mol
LogP10.58
Rot. Bonds4

About 4-(4-chlorophenyl)-6,8-bis(4-fluorophenyl)-2-phenylfuro[3,2-c]quinoline

4-(4-chlorophenyl)-6,8-bis(4-fluorophenyl)-2-phenylfuro[3,2-c]quinoline (PubChem CID 139232879) has the molecular formula C35H20ClF2NO and a molecular weight of 544.00 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-6,8-bis(4-fluorophenyl)-2-phenylfuro[3,2-c]quinoline.

Molecular Properties

Compound Name4-(4-chlorophenyl)-6,8-bis(4-fluorophenyl)-2-phenylfuro[3,2-c]quinoline
PubChem CID139232879
Molecular FormulaC35H20ClF2NO
Molecular Weight544.00 g/mol
Exact Mass543.12
IUPAC Name4-(4-chlorophenyl)-6,8-bis(4-fluorophenyl)-2-phenylfuro[3,2-c]quinoline
SMILESFc1ccc(-c2cc(-c3ccc(F)cc3)c3nc(-c4ccc(Cl)cc4)c4cc(-c5ccccc5)oc4c3c2)cc1
InChIInChI=1S/C35H20ClF2NO/c36-26-12-6-24(7-13-26)33-31-20-32(23-4-2-1-3-5-23)40-35(31)30-19-25(21-8-14-27(37)15-9-21)18-29(34(30)39-33)22-10-16-28(38)17-11-22/h1-20H
InChIKeyZLTRIGUKKCCKAB-UHFFFAOYSA-N
XLogP10.58
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.00
LogP ≤ 510.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-6,8-bis(4-fluorophenyl)-2-phenylfuro[3,2-c]quinoline?
The IUPAC name of 4-(4-chlorophenyl)-6,8-bis(4-fluorophenyl)-2-phenylfuro[3,2-c]quinoline (CID 139232879) is 4-(4-chlorophenyl)-6,8-bis(4-fluorophenyl)-2-phenylfuro[3,2-c]quinoline.
What is the SMILES notation for 4-(4-chlorophenyl)-6,8-bis(4-fluorophenyl)-2-phenylfuro[3,2-c]quinoline?
The canonical SMILES for 4-(4-chlorophenyl)-6,8-bis(4-fluorophenyl)-2-phenylfuro[3,2-c]quinoline is Fc1ccc(-c2cc(-c3ccc(F)cc3)c3nc(-c4ccc(Cl)cc4)c4cc(-c5ccccc5)oc4c3c2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-6,8-bis(4-fluorophenyl)-2-phenylfuro[3,2-c]quinoline?
The InChIKey is ZLTRIGUKKCCKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H20ClF2NO/c36-26-12-6-24(7-13-26)33-31-20-32(23-4-2-1-3-5-23)40-35(31)30-19-25(21-8-14-27(37)15-9-21)18-29(34(30)39-33)22-10-16-28(38)17-11-22/h1-20H.
What are the key properties of 4-(4-chlorophenyl)-6,8-bis(4-fluorophenyl)-2-phenylfuro[3,2-c]quinoline?
4-(4-chlorophenyl)-6,8-bis(4-fluorophenyl)-2-phenylfuro[3,2-c]quinoline has a molecular weight of 544.00 g/mol, XLogP of 10.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-6,8-bis(4-fluorophenyl)-2-phenylfuro[3,2-c]quinoline is sourced from PubChem (CID 139232879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).