2-(3-bromophenyl)-6-chloro-3-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-4-phenylquinoline

C42H25BrCl2N2O — CID 57335614

IUPAC2-(3-bromophenyl)-6-chloro-3-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-4-phenylquinoline
SMILESClc1ccc2nc(-c3ccc(Oc4c(-c5cccc(Br)c5)nc5ccc(Cl)cc5c4-c4ccccc4)cc3)cc(-c3ccccc3)c2c1
InChIInChI=1S/C42H25BrCl2N2O/c43-30-13-7-12-29(22-30)41-42(40(28-10-5-2-6-11-28)36-24-32(45)17-21-38(36)47-41)48-33-18-14-27(15-19-33)39-25-34(26-8-3-1-4-9-26)35-23-31(44)16-20-37(35)46-39/h1-25H
InChIKeyGICRQAAAANZDHJ-UHFFFAOYSA-N
MW724.49 g/mol
LogP13.31
Rot. Bonds6

About 2-(3-bromophenyl)-6-chloro-3-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-4-phenylquinoline

2-(3-bromophenyl)-6-chloro-3-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-4-phenylquinoline (PubChem CID 57335614) has the molecular formula C42H25BrCl2N2O and a molecular weight of 724.49 g/mol. Its IUPAC name is 2-(3-bromophenyl)-6-chloro-3-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-4-phenylquinoline.

Molecular Properties

Compound Name2-(3-bromophenyl)-6-chloro-3-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-4-phenylquinoline
PubChem CID57335614
Molecular FormulaC42H25BrCl2N2O
Molecular Weight724.49 g/mol
Exact Mass722.05
IUPAC Name2-(3-bromophenyl)-6-chloro-3-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-4-phenylquinoline
SMILESClc1ccc2nc(-c3ccc(Oc4c(-c5cccc(Br)c5)nc5ccc(Cl)cc5c4-c4ccccc4)cc3)cc(-c3ccccc3)c2c1
InChIInChI=1S/C42H25BrCl2N2O/c43-30-13-7-12-29(22-30)41-42(40(28-10-5-2-6-11-28)36-24-32(45)17-21-38(36)47-41)48-33-18-14-27(15-19-33)39-25-34(26-8-3-1-4-9-26)35-23-31(44)16-20-37(35)46-39/h1-25H
InChIKeyGICRQAAAANZDHJ-UHFFFAOYSA-N
XLogP13.31
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.49
LogP ≤ 513.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-6-chloro-3-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-4-phenylquinoline?
The IUPAC name of 2-(3-bromophenyl)-6-chloro-3-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-4-phenylquinoline (CID 57335614) is 2-(3-bromophenyl)-6-chloro-3-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-4-phenylquinoline.
What is the SMILES notation for 2-(3-bromophenyl)-6-chloro-3-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-4-phenylquinoline?
The canonical SMILES for 2-(3-bromophenyl)-6-chloro-3-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-4-phenylquinoline is Clc1ccc2nc(-c3ccc(Oc4c(-c5cccc(Br)c5)nc5ccc(Cl)cc5c4-c4ccccc4)cc3)cc(-c3ccccc3)c2c1.
What is the InChIKey of 2-(3-bromophenyl)-6-chloro-3-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-4-phenylquinoline?
The InChIKey is GICRQAAAANZDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25BrCl2N2O/c43-30-13-7-12-29(22-30)41-42(40(28-10-5-2-6-11-28)36-24-32(45)17-21-38(36)47-41)48-33-18-14-27(15-19-33)39-25-34(26-8-3-1-4-9-26)35-23-31(44)16-20-37(35)46-39/h1-25H.
What are the key properties of 2-(3-bromophenyl)-6-chloro-3-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-4-phenylquinoline?
2-(3-bromophenyl)-6-chloro-3-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-4-phenylquinoline has a molecular weight of 724.49 g/mol, XLogP of 13.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-6-chloro-3-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-4-phenylquinoline is sourced from PubChem (CID 57335614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).