3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole

C35H24BrN3 — CID 10257358

IUPAC3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole
SMILESBrc1ccc2[nH]cc(-c3nc(-c4ccc(-c5ccccc5)cc4)c(-c4ccc(-c5ccccc5)cc4)[nH]3)c2c1
InChIInChI=1S/C35H24BrN3/c36-29-19-20-32-30(21-29)31(22-37-32)35-38-33(27-15-11-25(12-16-27)23-7-3-1-4-8-23)34(39-35)28-17-13-26(14-18-28)24-9-5-2-6-10-24/h1-22,37H,(H,38,39)
InChIKeySOBCKBFWKRXBBH-UHFFFAOYSA-N
MW566.50 g/mol
LogP9.99
Rot. Bonds5

About 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole

3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole (PubChem CID 10257358) has the molecular formula C35H24BrN3 and a molecular weight of 566.50 g/mol. Its IUPAC name is 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole.

Molecular Properties

Compound Name3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole
PubChem CID10257358
Molecular FormulaC35H24BrN3
Molecular Weight566.50 g/mol
Exact Mass565.12
IUPAC Name3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole
SMILESBrc1ccc2[nH]cc(-c3nc(-c4ccc(-c5ccccc5)cc4)c(-c4ccc(-c5ccccc5)cc4)[nH]3)c2c1
InChIInChI=1S/C35H24BrN3/c36-29-19-20-32-30(21-29)31(22-37-32)35-38-33(27-15-11-25(12-16-27)23-7-3-1-4-8-23)34(39-35)28-17-13-26(14-18-28)24-9-5-2-6-10-24/h1-22,37H,(H,38,39)
InChIKeySOBCKBFWKRXBBH-UHFFFAOYSA-N
XLogP9.99
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.50
LogP ≤ 59.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole?
The IUPAC name of 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole (CID 10257358) is 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole.
What is the SMILES notation for 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole?
The canonical SMILES for 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole is Brc1ccc2[nH]cc(-c3nc(-c4ccc(-c5ccccc5)cc4)c(-c4ccc(-c5ccccc5)cc4)[nH]3)c2c1.
What is the InChIKey of 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole?
The InChIKey is SOBCKBFWKRXBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24BrN3/c36-29-19-20-32-30(21-29)31(22-37-32)35-38-33(27-15-11-25(12-16-27)23-7-3-1-4-8-23)34(39-35)28-17-13-26(14-18-28)24-9-5-2-6-10-24/h1-22,37H,(H,38,39).
What are the key properties of 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole?
3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole has a molecular weight of 566.50 g/mol, XLogP of 9.99, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole is sourced from PubChem (CID 10257358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).