1-(6-bromo-9-methylcarbazol-3-yl)-2-phenylethane-1,2-dione

C21H14BrNO2 — CID 15643979

IUPAC1-(6-bromo-9-methylcarbazol-3-yl)-2-phenylethane-1,2-dione
SMILESCn1c2ccc(Br)cc2c2cc(C(=O)C(=O)c3ccccc3)ccc21
InChIInChI=1S/C21H14BrNO2/c1-23-18-9-7-14(21(25)20(24)13-5-3-2-4-6-13)11-16(18)17-12-15(22)8-10-19(17)23/h2-12H,1H3
InChIKeyAUVQNPCCEWSWMU-UHFFFAOYSA-N
MW392.25 g/mol
LogP5.16
Rot. Bonds3

About 1-(6-bromo-9-methylcarbazol-3-yl)-2-phenylethane-1,2-dione

1-(6-bromo-9-methylcarbazol-3-yl)-2-phenylethane-1,2-dione (PubChem CID 15643979) has the molecular formula C21H14BrNO2 and a molecular weight of 392.25 g/mol. Its IUPAC name is 1-(6-bromo-9-methylcarbazol-3-yl)-2-phenylethane-1,2-dione.

Molecular Properties

Compound Name1-(6-bromo-9-methylcarbazol-3-yl)-2-phenylethane-1,2-dione
PubChem CID15643979
Molecular FormulaC21H14BrNO2
Molecular Weight392.25 g/mol
Exact Mass391.02
IUPAC Name1-(6-bromo-9-methylcarbazol-3-yl)-2-phenylethane-1,2-dione
SMILESCn1c2ccc(Br)cc2c2cc(C(=O)C(=O)c3ccccc3)ccc21
InChIInChI=1S/C21H14BrNO2/c1-23-18-9-7-14(21(25)20(24)13-5-3-2-4-6-13)11-16(18)17-12-15(22)8-10-19(17)23/h2-12H,1H3
InChIKeyAUVQNPCCEWSWMU-UHFFFAOYSA-N
XLogP5.16
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.25
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1,1'-(9-(2-((1-Methylethyl)amino)ethyl)-9H-carbazole-3,6-diyl)bis(ethanone)
CID 44519124
9-ethyl-9H-carbazole-3-carbaldehyde
CID 82055
EG-018
CID 118796466
Jwh-424
CID 57458937
9-Methyl-9H-carbazole-3-carbaldehyde
CID 610666
2-(2-bromophenyl)-1-(2-methyl-1-pentyl-1H-indol-3-yl)ethanone
CID 44397336
4-[(8-bromo-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-hydroxybenzamide
CID 50898589
3,6-Diacetyl-9-ethylcarbazole
CID 622083
EG-2201
CID 118796499
3-Bromo-4-(4-oxo-1,2,3,4-tetrahydro-carbazol-9-yl)benzamide
CID 16065675
(9-pentyl-9H-carbazol-3-yl)(piperidin-1-yl)methanone
CID 46871949
N,N-diethyl-9-pentyl-9H-carbazole-3-carboxamide
CID 56650683

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-9-methylcarbazol-3-yl)-2-phenylethane-1,2-dione?
The IUPAC name of 1-(6-bromo-9-methylcarbazol-3-yl)-2-phenylethane-1,2-dione (CID 15643979) is 1-(6-bromo-9-methylcarbazol-3-yl)-2-phenylethane-1,2-dione.
What is the SMILES notation for 1-(6-bromo-9-methylcarbazol-3-yl)-2-phenylethane-1,2-dione?
The canonical SMILES for 1-(6-bromo-9-methylcarbazol-3-yl)-2-phenylethane-1,2-dione is Cn1c2ccc(Br)cc2c2cc(C(=O)C(=O)c3ccccc3)ccc21.
What is the InChIKey of 1-(6-bromo-9-methylcarbazol-3-yl)-2-phenylethane-1,2-dione?
The InChIKey is AUVQNPCCEWSWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BrNO2/c1-23-18-9-7-14(21(25)20(24)13-5-3-2-4-6-13)11-16(18)17-12-15(22)8-10-19(17)23/h2-12H,1H3.
What are the key properties of 1-(6-bromo-9-methylcarbazol-3-yl)-2-phenylethane-1,2-dione?
1-(6-bromo-9-methylcarbazol-3-yl)-2-phenylethane-1,2-dione has a molecular weight of 392.25 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-9-methylcarbazol-3-yl)-2-phenylethane-1,2-dione is sourced from PubChem (CID 15643979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).