3-[(2-bromophenyl)methyl]-2-phenyl-1H-indole

C21H16BrN — CID 169225892

IUPAC3-[(2-bromophenyl)methyl]-2-phenyl-1H-indole
SMILESBrc1ccccc1Cc1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C21H16BrN/c22-19-12-6-4-10-16(19)14-18-17-11-5-7-13-20(17)23-21(18)15-8-2-1-3-9-15/h1-13,23H,14H2
InChIKeyREZNHYGXNFRTFQ-UHFFFAOYSA-N
MW362.27 g/mol
LogP6.19
Rot. Bonds3

About 3-[(2-bromophenyl)methyl]-2-phenyl-1H-indole

3-[(2-bromophenyl)methyl]-2-phenyl-1H-indole (PubChem CID 169225892) has the molecular formula C21H16BrN and a molecular weight of 362.27 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methyl]-2-phenyl-1H-indole.

Molecular Properties

Compound Name3-[(2-bromophenyl)methyl]-2-phenyl-1H-indole
PubChem CID169225892
Molecular FormulaC21H16BrN
Molecular Weight362.27 g/mol
Exact Mass361.05
IUPAC Name3-[(2-bromophenyl)methyl]-2-phenyl-1H-indole
SMILESBrc1ccccc1Cc1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C21H16BrN/c22-19-12-6-4-10-16(19)14-18-17-11-5-7-13-20(17)23-21(18)15-8-2-1-3-9-15/h1-13,23H,14H2
InChIKeyREZNHYGXNFRTFQ-UHFFFAOYSA-N
XLogP6.19
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.27
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

Carbazole
CID 6854
2-Methylindole
CID 7224
2,3-Dimethylindole
CID 7053
2-Phenylindole
CID 13698
4,9-Dihydro-1-methyl-3H-pyrido(3,4-b)indole
CID 160510
2,3-diphenyl-1H-indole
CID 77020
6-bromo-1H,2H,3H,4H,9H-pyrido(3,4-b)indole
CID 14680201
1,2,3,4-Tetrahydrocarbazole
CID 13664
3-tert-butyl-9H-carbazole
CID 12117342
2-ethyl-9H-carbazole
CID 138537
6,11-Dihydro-5H-benzo(a)carbazole
CID 297591
2-(4-methylphenyl)-1H-indole
CID 292599

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)methyl]-2-phenyl-1H-indole?
The IUPAC name of 3-[(2-bromophenyl)methyl]-2-phenyl-1H-indole (CID 169225892) is 3-[(2-bromophenyl)methyl]-2-phenyl-1H-indole.
What is the SMILES notation for 3-[(2-bromophenyl)methyl]-2-phenyl-1H-indole?
The canonical SMILES for 3-[(2-bromophenyl)methyl]-2-phenyl-1H-indole is Brc1ccccc1Cc1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of 3-[(2-bromophenyl)methyl]-2-phenyl-1H-indole?
The InChIKey is REZNHYGXNFRTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrN/c22-19-12-6-4-10-16(19)14-18-17-11-5-7-13-20(17)23-21(18)15-8-2-1-3-9-15/h1-13,23H,14H2.
What are the key properties of 3-[(2-bromophenyl)methyl]-2-phenyl-1H-indole?
3-[(2-bromophenyl)methyl]-2-phenyl-1H-indole has a molecular weight of 362.27 g/mol, XLogP of 6.19, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methyl]-2-phenyl-1H-indole is sourced from PubChem (CID 169225892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).