5-bromo-2-phenyl-3-(1,4,5-triphenylimidazol-2-yl)-1H-indole

C35H24BrN3 — CID 122191966

IUPAC5-bromo-2-phenyl-3-(1,4,5-triphenylimidazol-2-yl)-1H-indole
SMILESBrc1ccc2[nH]c(-c3ccccc3)c(-c3nc(-c4ccccc4)c(-c4ccccc4)n3-c3ccccc3)c2c1
InChIInChI=1S/C35H24BrN3/c36-27-21-22-30-29(23-27)31(32(37-30)24-13-5-1-6-14-24)35-38-33(25-15-7-2-8-16-25)34(26-17-9-3-10-18-26)39(35)28-19-11-4-12-20-28/h1-23,37H
InChIKeyFVPSAVQIAUUJOL-UHFFFAOYSA-N
MW566.50 g/mol
LogP9.78
Rot. Bonds5

About 5-bromo-2-phenyl-3-(1,4,5-triphenylimidazol-2-yl)-1H-indole

5-bromo-2-phenyl-3-(1,4,5-triphenylimidazol-2-yl)-1H-indole (PubChem CID 122191966) has the molecular formula C35H24BrN3 and a molecular weight of 566.50 g/mol. Its IUPAC name is 5-bromo-2-phenyl-3-(1,4,5-triphenylimidazol-2-yl)-1H-indole.

Molecular Properties

Compound Name5-bromo-2-phenyl-3-(1,4,5-triphenylimidazol-2-yl)-1H-indole
PubChem CID122191966
Molecular FormulaC35H24BrN3
Molecular Weight566.50 g/mol
Exact Mass565.12
IUPAC Name5-bromo-2-phenyl-3-(1,4,5-triphenylimidazol-2-yl)-1H-indole
SMILESBrc1ccc2[nH]c(-c3ccccc3)c(-c3nc(-c4ccccc4)c(-c4ccccc4)n3-c3ccccc3)c2c1
InChIInChI=1S/C35H24BrN3/c36-27-21-22-30-29(23-27)31(32(37-30)24-13-5-1-6-14-24)35-38-33(25-15-7-2-8-16-25)34(26-17-9-3-10-18-26)39(35)28-19-11-4-12-20-28/h1-23,37H
InChIKeyFVPSAVQIAUUJOL-UHFFFAOYSA-N
XLogP9.78
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.50
LogP ≤ 59.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-phenyl-3-(1,4,5-triphenylimidazol-2-yl)-1H-indole?
The IUPAC name of 5-bromo-2-phenyl-3-(1,4,5-triphenylimidazol-2-yl)-1H-indole (CID 122191966) is 5-bromo-2-phenyl-3-(1,4,5-triphenylimidazol-2-yl)-1H-indole.
What is the SMILES notation for 5-bromo-2-phenyl-3-(1,4,5-triphenylimidazol-2-yl)-1H-indole?
The canonical SMILES for 5-bromo-2-phenyl-3-(1,4,5-triphenylimidazol-2-yl)-1H-indole is Brc1ccc2[nH]c(-c3ccccc3)c(-c3nc(-c4ccccc4)c(-c4ccccc4)n3-c3ccccc3)c2c1.
What is the InChIKey of 5-bromo-2-phenyl-3-(1,4,5-triphenylimidazol-2-yl)-1H-indole?
The InChIKey is FVPSAVQIAUUJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24BrN3/c36-27-21-22-30-29(23-27)31(32(37-30)24-13-5-1-6-14-24)35-38-33(25-15-7-2-8-16-25)34(26-17-9-3-10-18-26)39(35)28-19-11-4-12-20-28/h1-23,37H.
What are the key properties of 5-bromo-2-phenyl-3-(1,4,5-triphenylimidazol-2-yl)-1H-indole?
5-bromo-2-phenyl-3-(1,4,5-triphenylimidazol-2-yl)-1H-indole has a molecular weight of 566.50 g/mol, XLogP of 9.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-phenyl-3-(1,4,5-triphenylimidazol-2-yl)-1H-indole is sourced from PubChem (CID 122191966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).