3-[4-bromo-2-(2-methylpropyl)phenyl]-9H-carbazole

C22H20BrN — CID 130238893

IUPAC3-[4-bromo-2-(2-methylpropyl)phenyl]-9H-carbazole
SMILESCC(C)Cc1cc(Br)ccc1-c1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C22H20BrN/c1-14(2)11-16-12-17(23)8-9-18(16)15-7-10-22-20(13-15)19-5-3-4-6-21(19)24-22/h3-10,12-14,24H,11H2,1-2H3
InChIKeyDTFCDMOGKIQLMT-UHFFFAOYSA-N
MW378.31 g/mol
LogP6.95
Rot. Bonds3

About 3-[4-bromo-2-(2-methylpropyl)phenyl]-9H-carbazole

3-[4-bromo-2-(2-methylpropyl)phenyl]-9H-carbazole (PubChem CID 130238893) has the molecular formula C22H20BrN and a molecular weight of 378.31 g/mol. Its IUPAC name is 3-[4-bromo-2-(2-methylpropyl)phenyl]-9H-carbazole.

Molecular Properties

Compound Name3-[4-bromo-2-(2-methylpropyl)phenyl]-9H-carbazole
PubChem CID130238893
Molecular FormulaC22H20BrN
Molecular Weight378.31 g/mol
Exact Mass377.08
IUPAC Name3-[4-bromo-2-(2-methylpropyl)phenyl]-9H-carbazole
SMILESCC(C)Cc1cc(Br)ccc1-c1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C22H20BrN/c1-14(2)11-16-12-17(23)8-9-18(16)15-7-10-22-20(13-15)19-5-3-4-6-21(19)24-22/h3-10,12-14,24H,11H2,1-2H3
InChIKeyDTFCDMOGKIQLMT-UHFFFAOYSA-N
XLogP6.95
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.31
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-[4-bromo-2-(2-methylpropyl)phenyl]-9H-carbazole?
The IUPAC name of 3-[4-bromo-2-(2-methylpropyl)phenyl]-9H-carbazole (CID 130238893) is 3-[4-bromo-2-(2-methylpropyl)phenyl]-9H-carbazole.
What is the SMILES notation for 3-[4-bromo-2-(2-methylpropyl)phenyl]-9H-carbazole?
The canonical SMILES for 3-[4-bromo-2-(2-methylpropyl)phenyl]-9H-carbazole is CC(C)Cc1cc(Br)ccc1-c1ccc2[nH]c3ccccc3c2c1.
What is the InChIKey of 3-[4-bromo-2-(2-methylpropyl)phenyl]-9H-carbazole?
The InChIKey is DTFCDMOGKIQLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN/c1-14(2)11-16-12-17(23)8-9-18(16)15-7-10-22-20(13-15)19-5-3-4-6-21(19)24-22/h3-10,12-14,24H,11H2,1-2H3.
What are the key properties of 3-[4-bromo-2-(2-methylpropyl)phenyl]-9H-carbazole?
3-[4-bromo-2-(2-methylpropyl)phenyl]-9H-carbazole has a molecular weight of 378.31 g/mol, XLogP of 6.95, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-bromo-2-(2-methylpropyl)phenyl]-9H-carbazole is sourced from PubChem (CID 130238893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).