6-bromo-2-[3-(6-bromo-4-phenylquinolin-2-yl)-4-hexoxyphenyl]-4-phenylquinoline

C42H34Br2N2O — CID 101209991

IUPAC6-bromo-2-[3-(6-bromo-4-phenylquinolin-2-yl)-4-hexoxyphenyl]-4-phenylquinoline
SMILESCCCCCCOc1ccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1-c1cc(-c2ccccc2)c2cc(Br)ccc2n1
InChIInChI=1S/C42H34Br2N2O/c1-2-3-4-11-22-47-42-21-16-30(40-26-33(28-12-7-5-8-13-28)35-24-31(43)17-19-38(35)45-40)23-37(42)41-27-34(29-14-9-6-10-15-29)36-25-32(44)18-20-39(36)46-41/h5-10,12-21,23-27H,2-4,11,22H2,1H3
InChIKeyZWXLQZWFTXWBIG-UHFFFAOYSA-N
MW742.56 g/mol
LogP12.94
Rot. Bonds10

About 6-bromo-2-[3-(6-bromo-4-phenylquinolin-2-yl)-4-hexoxyphenyl]-4-phenylquinoline

6-bromo-2-[3-(6-bromo-4-phenylquinolin-2-yl)-4-hexoxyphenyl]-4-phenylquinoline (PubChem CID 101209991) has the molecular formula C42H34Br2N2O and a molecular weight of 742.56 g/mol. Its IUPAC name is 6-bromo-2-[3-(6-bromo-4-phenylquinolin-2-yl)-4-hexoxyphenyl]-4-phenylquinoline.

Molecular Properties

Compound Name6-bromo-2-[3-(6-bromo-4-phenylquinolin-2-yl)-4-hexoxyphenyl]-4-phenylquinoline
PubChem CID101209991
Molecular FormulaC42H34Br2N2O
Molecular Weight742.56 g/mol
Exact Mass740.10
IUPAC Name6-bromo-2-[3-(6-bromo-4-phenylquinolin-2-yl)-4-hexoxyphenyl]-4-phenylquinoline
SMILESCCCCCCOc1ccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1-c1cc(-c2ccccc2)c2cc(Br)ccc2n1
InChIInChI=1S/C42H34Br2N2O/c1-2-3-4-11-22-47-42-21-16-30(40-26-33(28-12-7-5-8-13-28)35-24-31(43)17-19-38(35)45-40)23-37(42)41-27-34(29-14-9-6-10-15-29)36-25-32(44)18-20-39(36)46-41/h5-10,12-21,23-27H,2-4,11,22H2,1H3
InChIKeyZWXLQZWFTXWBIG-UHFFFAOYSA-N
XLogP12.94
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.56
LogP ≤ 512.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-bromo-2-[3-(6-bromo-4-phenylquinolin-2-yl)-4-hexoxyphenyl]-4-phenylquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[3-(6-bromo-4-phenylquinolin-2-yl)-4-hexoxyphenyl]-4-phenylquinoline?
The IUPAC name of 6-bromo-2-[3-(6-bromo-4-phenylquinolin-2-yl)-4-hexoxyphenyl]-4-phenylquinoline (CID 101209991) is 6-bromo-2-[3-(6-bromo-4-phenylquinolin-2-yl)-4-hexoxyphenyl]-4-phenylquinoline.
What is the SMILES notation for 6-bromo-2-[3-(6-bromo-4-phenylquinolin-2-yl)-4-hexoxyphenyl]-4-phenylquinoline?
The canonical SMILES for 6-bromo-2-[3-(6-bromo-4-phenylquinolin-2-yl)-4-hexoxyphenyl]-4-phenylquinoline is CCCCCCOc1ccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1-c1cc(-c2ccccc2)c2cc(Br)ccc2n1.
What is the InChIKey of 6-bromo-2-[3-(6-bromo-4-phenylquinolin-2-yl)-4-hexoxyphenyl]-4-phenylquinoline?
The InChIKey is ZWXLQZWFTXWBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34Br2N2O/c1-2-3-4-11-22-47-42-21-16-30(40-26-33(28-12-7-5-8-13-28)35-24-31(43)17-19-38(35)45-40)23-37(42)41-27-34(29-14-9-6-10-15-29)36-25-32(44)18-20-39(36)46-41/h5-10,12-21,23-27H,2-4,11,22H2,1H3.
What are the key properties of 6-bromo-2-[3-(6-bromo-4-phenylquinolin-2-yl)-4-hexoxyphenyl]-4-phenylquinoline?
6-bromo-2-[3-(6-bromo-4-phenylquinolin-2-yl)-4-hexoxyphenyl]-4-phenylquinoline has a molecular weight of 742.56 g/mol, XLogP of 12.94, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[3-(6-bromo-4-phenylquinolin-2-yl)-4-hexoxyphenyl]-4-phenylquinoline is sourced from PubChem (CID 101209991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).