3-bromo-2-methyl-1-(2-methylphenyl)-9H-carbazole

C20H16BrN — CID 142290502

IUPAC3-bromo-2-methyl-1-(2-methylphenyl)-9H-carbazole
SMILESCc1ccccc1-c1c(C)c(Br)cc2c1[nH]c1ccccc12
InChIInChI=1S/C20H16BrN/c1-12-7-3-4-8-14(12)19-13(2)17(21)11-16-15-9-5-6-10-18(15)22-20(16)19/h3-11,22H,1-2H3
InChIKeyVFBAMYLJWPHAHL-UHFFFAOYSA-N
MW350.26 g/mol
LogP6.37
Rot. Bonds1

About 3-bromo-2-methyl-1-(2-methylphenyl)-9H-carbazole

3-bromo-2-methyl-1-(2-methylphenyl)-9H-carbazole (PubChem CID 142290502) has the molecular formula C20H16BrN and a molecular weight of 350.26 g/mol. Its IUPAC name is 3-bromo-2-methyl-1-(2-methylphenyl)-9H-carbazole.

Molecular Properties

Compound Name3-bromo-2-methyl-1-(2-methylphenyl)-9H-carbazole
PubChem CID142290502
Molecular FormulaC20H16BrN
Molecular Weight350.26 g/mol
Exact Mass349.05
IUPAC Name3-bromo-2-methyl-1-(2-methylphenyl)-9H-carbazole
SMILESCc1ccccc1-c1c(C)c(Br)cc2c1[nH]c1ccccc12
InChIInChI=1S/C20H16BrN/c1-12-7-3-4-8-14(12)19-13(2)17(21)11-16-15-9-5-6-10-18(15)22-20(16)19/h3-11,22H,1-2H3
InChIKeyVFBAMYLJWPHAHL-UHFFFAOYSA-N
XLogP6.37
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.26
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

5-methyl-11H-benzo[a]carbazole
CID 6454977
1-(2-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 175123310
2-methyl-1-phenyl-9H-carbazol-3-ol
CID 11097717
4-(2-bromo-9H-carbazol-1-yl)isoindole-1,3-dione
CID 138593605
3-methyl-2,9-dihydropyrido[3,4-b]indol-1-one
CID 12529019
6-hydroxy-5,7,10-trimethyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),2,5,7,9,13,15,17-octaen-4-one
CID 91810447
azane;1,2-dimethyl-9H-carbazole
CID 174760951
1,2-dimethoxy-3-methyl-9H-carbazole
CID 121392171
1-[4-[4-(9H-carbazol-1-yl)-2-methylphenyl]-3-methylphenyl]-9H-carbazole
CID 159544666
1-(2-methylphenyl)-9H-pyrido[3,4-b]indole
CID 134147548
1-methyl-9H-carbazole-3-carbonyl chloride
CID 151683176
2-methyl-4-(2-methylphenyl)-9H-pyrido[2,3-b]indole
CID 135060330

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyl-1-(2-methylphenyl)-9H-carbazole?
The IUPAC name of 3-bromo-2-methyl-1-(2-methylphenyl)-9H-carbazole (CID 142290502) is 3-bromo-2-methyl-1-(2-methylphenyl)-9H-carbazole.
What is the SMILES notation for 3-bromo-2-methyl-1-(2-methylphenyl)-9H-carbazole?
The canonical SMILES for 3-bromo-2-methyl-1-(2-methylphenyl)-9H-carbazole is Cc1ccccc1-c1c(C)c(Br)cc2c1[nH]c1ccccc12.
What is the InChIKey of 3-bromo-2-methyl-1-(2-methylphenyl)-9H-carbazole?
The InChIKey is VFBAMYLJWPHAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN/c1-12-7-3-4-8-14(12)19-13(2)17(21)11-16-15-9-5-6-10-18(15)22-20(16)19/h3-11,22H,1-2H3.
What are the key properties of 3-bromo-2-methyl-1-(2-methylphenyl)-9H-carbazole?
3-bromo-2-methyl-1-(2-methylphenyl)-9H-carbazole has a molecular weight of 350.26 g/mol, XLogP of 6.37, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methyl-1-(2-methylphenyl)-9H-carbazole is sourced from PubChem (CID 142290502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).