1-(3-bromo-6-methylcarbazol-9-yl)-3-indol-1-ylpropan-2-ol

C24H21BrN2O — CID 91098385

IUPAC1-(3-bromo-6-methylcarbazol-9-yl)-3-indol-1-ylpropan-2-ol
SMILESCc1ccc2c(c1)c1cc(Br)ccc1n2CC(O)Cn1ccc2ccccc21
InChIInChI=1S/C24H21BrN2O/c1-16-6-8-23-20(12-16)21-13-18(25)7-9-24(21)27(23)15-19(28)14-26-11-10-17-4-2-3-5-22(17)26/h2-13,19,28H,14-15H2,1H3
InChIKeyOXYFZHQZSFUXNN-UHFFFAOYSA-N
MW433.35 g/mol
LogP5.88
Rot. Bonds4

About 1-(3-bromo-6-methylcarbazol-9-yl)-3-indol-1-ylpropan-2-ol

1-(3-bromo-6-methylcarbazol-9-yl)-3-indol-1-ylpropan-2-ol (PubChem CID 91098385) has the molecular formula C24H21BrN2O and a molecular weight of 433.35 g/mol. Its IUPAC name is 1-(3-bromo-6-methylcarbazol-9-yl)-3-indol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-6-methylcarbazol-9-yl)-3-indol-1-ylpropan-2-ol
PubChem CID91098385
Molecular FormulaC24H21BrN2O
Molecular Weight433.35 g/mol
Exact Mass432.08
IUPAC Name1-(3-bromo-6-methylcarbazol-9-yl)-3-indol-1-ylpropan-2-ol
SMILESCc1ccc2c(c1)c1cc(Br)ccc1n2CC(O)Cn1ccc2ccccc21
InChIInChI=1S/C24H21BrN2O/c1-16-6-8-23-20(12-16)21-13-18(25)7-9-24(21)27(23)15-19(28)14-26-11-10-17-4-2-3-5-22(17)26/h2-13,19,28H,14-15H2,1H3
InChIKeyOXYFZHQZSFUXNN-UHFFFAOYSA-N
XLogP5.88
TPSA30.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.35
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-6-methylcarbazol-9-yl)-3-indol-1-ylpropan-2-ol?
The IUPAC name of 1-(3-bromo-6-methylcarbazol-9-yl)-3-indol-1-ylpropan-2-ol (CID 91098385) is 1-(3-bromo-6-methylcarbazol-9-yl)-3-indol-1-ylpropan-2-ol.
What is the SMILES notation for 1-(3-bromo-6-methylcarbazol-9-yl)-3-indol-1-ylpropan-2-ol?
The canonical SMILES for 1-(3-bromo-6-methylcarbazol-9-yl)-3-indol-1-ylpropan-2-ol is Cc1ccc2c(c1)c1cc(Br)ccc1n2CC(O)Cn1ccc2ccccc21.
What is the InChIKey of 1-(3-bromo-6-methylcarbazol-9-yl)-3-indol-1-ylpropan-2-ol?
The InChIKey is OXYFZHQZSFUXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrN2O/c1-16-6-8-23-20(12-16)21-13-18(25)7-9-24(21)27(23)15-19(28)14-26-11-10-17-4-2-3-5-22(17)26/h2-13,19,28H,14-15H2,1H3.
What are the key properties of 1-(3-bromo-6-methylcarbazol-9-yl)-3-indol-1-ylpropan-2-ol?
1-(3-bromo-6-methylcarbazol-9-yl)-3-indol-1-ylpropan-2-ol has a molecular weight of 433.35 g/mol, XLogP of 5.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-6-methylcarbazol-9-yl)-3-indol-1-ylpropan-2-ol is sourced from PubChem (CID 91098385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).