8-bromo-5-methyl-4bH-indeno[1,2-b]indole

C16H12BrN — CID 87162109

IUPAC8-bromo-5-methyl-4bH-indeno[1,2-b]indole
SMILESCN1c2ccc(Br)cc2C2=Cc3ccccc3C21
InChIInChI=1S/C16H12BrN/c1-18-15-7-6-11(17)9-13(15)14-8-10-4-2-3-5-12(10)16(14)18/h2-9,16H,1H3
InChIKeyGXGNRSRENCBAHF-UHFFFAOYSA-N
MW298.18 g/mol
LogP4.49
Rot. Bonds

About 8-bromo-5-methyl-4bH-indeno[1,2-b]indole

8-bromo-5-methyl-4bH-indeno[1,2-b]indole (PubChem CID 87162109) has the molecular formula C16H12BrN and a molecular weight of 298.18 g/mol. Its IUPAC name is 8-bromo-5-methyl-4bH-indeno[1,2-b]indole.

Molecular Properties

Compound Name8-bromo-5-methyl-4bH-indeno[1,2-b]indole
PubChem CID87162109
Molecular FormulaC16H12BrN
Molecular Weight298.18 g/mol
Exact Mass297.02
IUPAC Name8-bromo-5-methyl-4bH-indeno[1,2-b]indole
SMILESCN1c2ccc(Br)cc2C2=Cc3ccccc3C21
InChIInChI=1S/C16H12BrN/c1-18-15-7-6-11(17)9-13(15)14-8-10-4-2-3-5-12(10)16(14)18/h2-9,16H,1H3
InChIKeyGXGNRSRENCBAHF-UHFFFAOYSA-N
XLogP4.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 87162493
CID 87162493
2-bromo-5-methyl-4b,6-dihydroindeno[1,2-b]indol-6-ide;dichlorozirconium;1,4-dihydroinden-4-ide;sulfanide
CID 87162304
3-bromo-5-ethoxy-11-methylbenzo[b][1]benzazepine
CID 12813978
2,7-dibromo-9-[(2-methyl-1H-inden-1-yl)methyl]-9H-fluorene
CID 67039566
2-bromo-5-methyl-4b,9-dihydroindeno[1,2-b]indol-9-ide;dichlorozirconium;1,4-dihydroinden-4-ide;sulfanide
CID 87162281
(15S,19S)-17-(4-bromo-2-methylphenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 1312266
7-bromo-4-methyl-3-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazine
CID 116837441
7-bromo-1,2-dimethyl-5-pyridin-2-yl-2,3-dihydro-1,4-benzodiazepine
CID 118689002
6-(4-chlorophenyl)-5-methyl-6H-phenanthridine
CID 59051726
3-bromo-9H-fluorene-9-carbaldehyde
CID 174549083
2-bromo-9-nitroso-9H-fluorene
CID 90968481
(2S)-7-bromo-5-(2-chlorophenyl)-2-(methoxymethyl)-1-methyl-2,3-dihydro-1,4-benzodiazepine
CID 66721904

Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-methyl-4bH-indeno[1,2-b]indole?
The IUPAC name of 8-bromo-5-methyl-4bH-indeno[1,2-b]indole (CID 87162109) is 8-bromo-5-methyl-4bH-indeno[1,2-b]indole.
What is the SMILES notation for 8-bromo-5-methyl-4bH-indeno[1,2-b]indole?
The canonical SMILES for 8-bromo-5-methyl-4bH-indeno[1,2-b]indole is CN1c2ccc(Br)cc2C2=Cc3ccccc3C21.
What is the InChIKey of 8-bromo-5-methyl-4bH-indeno[1,2-b]indole?
The InChIKey is GXGNRSRENCBAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN/c1-18-15-7-6-11(17)9-13(15)14-8-10-4-2-3-5-12(10)16(14)18/h2-9,16H,1H3.
What are the key properties of 8-bromo-5-methyl-4bH-indeno[1,2-b]indole?
8-bromo-5-methyl-4bH-indeno[1,2-b]indole has a molecular weight of 298.18 g/mol, XLogP of 4.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-methyl-4bH-indeno[1,2-b]indole is sourced from PubChem (CID 87162109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).