5-bromo-3-[1-(4-bromophenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole

C35H23Br2N3 — CID 122191962

IUPAC5-bromo-3-[1-(4-bromophenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole
SMILESBrc1ccc(-n2c(-c3c(-c4ccccc4)[nH]c4ccc(Br)cc34)nc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C35H23Br2N3/c36-26-16-19-28(20-17-26)40-34(25-14-8-3-9-15-25)33(24-12-6-2-7-13-24)39-35(40)31-29-22-27(37)18-21-30(29)38-32(31)23-10-4-1-5-11-23/h1-22,38H
InChIKeyPZKQLGITSOVYAB-UHFFFAOYSA-N
MW645.40 g/mol
LogP10.55
Rot. Bonds5

About 5-bromo-3-[1-(4-bromophenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole

5-bromo-3-[1-(4-bromophenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole (PubChem CID 122191962) has the molecular formula C35H23Br2N3 and a molecular weight of 645.40 g/mol. Its IUPAC name is 5-bromo-3-[1-(4-bromophenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole.

Molecular Properties

Compound Name5-bromo-3-[1-(4-bromophenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole
PubChem CID122191962
Molecular FormulaC35H23Br2N3
Molecular Weight645.40 g/mol
Exact Mass643.03
IUPAC Name5-bromo-3-[1-(4-bromophenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole
SMILESBrc1ccc(-n2c(-c3c(-c4ccccc4)[nH]c4ccc(Br)cc34)nc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C35H23Br2N3/c36-26-16-19-28(20-17-26)40-34(25-14-8-3-9-15-25)33(24-12-6-2-7-13-24)39-35(40)31-29-22-27(37)18-21-30(29)38-32(31)23-10-4-1-5-11-23/h1-22,38H
InChIKeyPZKQLGITSOVYAB-UHFFFAOYSA-N
XLogP10.55
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.40
LogP ≤ 510.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-3-[1-(4-bromophenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole 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 5-bromo-3-[1-(4-bromophenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole?
The IUPAC name of 5-bromo-3-[1-(4-bromophenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole (CID 122191962) is 5-bromo-3-[1-(4-bromophenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole.
What is the SMILES notation for 5-bromo-3-[1-(4-bromophenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole?
The canonical SMILES for 5-bromo-3-[1-(4-bromophenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole is Brc1ccc(-n2c(-c3c(-c4ccccc4)[nH]c4ccc(Br)cc34)nc(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 5-bromo-3-[1-(4-bromophenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole?
The InChIKey is PZKQLGITSOVYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23Br2N3/c36-26-16-19-28(20-17-26)40-34(25-14-8-3-9-15-25)33(24-12-6-2-7-13-24)39-35(40)31-29-22-27(37)18-21-30(29)38-32(31)23-10-4-1-5-11-23/h1-22,38H.
What are the key properties of 5-bromo-3-[1-(4-bromophenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole?
5-bromo-3-[1-(4-bromophenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole has a molecular weight of 645.40 g/mol, XLogP of 10.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[1-(4-bromophenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole is sourced from PubChem (CID 122191962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).