3-bromo-9-(4-methylphenyl)carbazole

C19H14BrN — CID 71463937

IUPAC3-bromo-9-(4-methylphenyl)carbazole
SMILESCc1ccc(-n2c3ccccc3c3cc(Br)ccc32)cc1
InChIInChI=1S/C19H14BrN/c1-13-6-9-15(10-7-13)21-18-5-3-2-4-16(18)17-12-14(20)8-11-19(17)21/h2-12H,1H3
InChIKeyRODQKGBYDIAMCF-UHFFFAOYSA-N
MW336.23 g/mol
LogP5.85
Rot. Bonds1

About 3-bromo-9-(4-methylphenyl)carbazole

3-bromo-9-(4-methylphenyl)carbazole (PubChem CID 71463937) has the molecular formula C19H14BrN and a molecular weight of 336.23 g/mol. Its IUPAC name is 3-bromo-9-(4-methylphenyl)carbazole.

Molecular Properties

Compound Name3-bromo-9-(4-methylphenyl)carbazole
PubChem CID71463937
Molecular FormulaC19H14BrN
Molecular Weight336.23 g/mol
Exact Mass335.03
IUPAC Name3-bromo-9-(4-methylphenyl)carbazole
SMILESCc1ccc(-n2c3ccccc3c3cc(Br)ccc32)cc1
InChIInChI=1S/C19H14BrN/c1-13-6-9-15(10-7-13)21-18-5-3-2-4-16(18)17-12-14(20)8-11-19(17)21/h2-12H,1H3
InChIKeyRODQKGBYDIAMCF-UHFFFAOYSA-N
XLogP5.85
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.23
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-9-(4-methylphenyl)carbazole?
The IUPAC name of 3-bromo-9-(4-methylphenyl)carbazole (CID 71463937) is 3-bromo-9-(4-methylphenyl)carbazole.
What is the SMILES notation for 3-bromo-9-(4-methylphenyl)carbazole?
The canonical SMILES for 3-bromo-9-(4-methylphenyl)carbazole is Cc1ccc(-n2c3ccccc3c3cc(Br)ccc32)cc1.
What is the InChIKey of 3-bromo-9-(4-methylphenyl)carbazole?
The InChIKey is RODQKGBYDIAMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN/c1-13-6-9-15(10-7-13)21-18-5-3-2-4-16(18)17-12-14(20)8-11-19(17)21/h2-12H,1H3.
What are the key properties of 3-bromo-9-(4-methylphenyl)carbazole?
3-bromo-9-(4-methylphenyl)carbazole has a molecular weight of 336.23 g/mol, XLogP of 5.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-9-(4-methylphenyl)carbazole is sourced from PubChem (CID 71463937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).