3-bromo-9-(4-tert-butylphenyl)-6-methylcarbazole

C23H22BrN — CID 91019320

IUPAC3-bromo-9-(4-tert-butylphenyl)-6-methylcarbazole
SMILESCc1ccc2c(c1)c1cc(Br)ccc1n2-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H22BrN/c1-15-5-11-21-19(13-15)20-14-17(24)8-12-22(20)25(21)18-9-6-16(7-10-18)23(2,3)4/h5-14H,1-4H3
InChIKeyLNZOHVSVFXCVSW-UHFFFAOYSA-N
MW392.34 g/mol
LogP7.15
Rot. Bonds1

About 3-bromo-9-(4-tert-butylphenyl)-6-methylcarbazole

3-bromo-9-(4-tert-butylphenyl)-6-methylcarbazole (PubChem CID 91019320) has the molecular formula C23H22BrN and a molecular weight of 392.34 g/mol. Its IUPAC name is 3-bromo-9-(4-tert-butylphenyl)-6-methylcarbazole.

Molecular Properties

Compound Name3-bromo-9-(4-tert-butylphenyl)-6-methylcarbazole
PubChem CID91019320
Molecular FormulaC23H22BrN
Molecular Weight392.34 g/mol
Exact Mass391.09
IUPAC Name3-bromo-9-(4-tert-butylphenyl)-6-methylcarbazole
SMILESCc1ccc2c(c1)c1cc(Br)ccc1n2-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H22BrN/c1-15-5-11-21-19(13-15)20-14-17(24)8-12-22(20)25(21)18-9-6-16(7-10-18)23(2,3)4/h5-14H,1-4H3
InChIKeyLNZOHVSVFXCVSW-UHFFFAOYSA-N
XLogP7.15
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.34
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-(4-bromophenyl)-3,6-ditert-butylcarbazole
CID 139082644
CID 88930604
CID 88930604
9-[3,5-bis(3-tert-butyl-6-methylcarbazol-9-yl)phenyl]-3-tert-butyl-6-methylcarbazole
CID 59399788
9-(6-bromonaphthalen-2-yl)-3,6-ditert-butylcarbazole
CID 138478846
3,6-bis(3,6-dimethylcarbazol-9-yl)-9-[4-(2-phenylpropan-2-yl)phenyl]carbazole
CID 162480016
3,6-dimethyl-9-[6-methyl-9-(4-methylphenyl)carbazol-3-yl]carbazole
CID 59412024
3,6-bis[6-methyl-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole
CID 59412028
9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-ol
CID 59404171
3,6-ditert-butyl-9-[6-(3-tert-butyl-6-methylcarbazol-9-yl)-9H-carbazol-3-yl]carbazole
CID 153353487
9-(4-bromophenyl)-2-tert-butylcarbazole
CID 142745661
9-(4-tert-butylphenyl)-3,6-di(carbazol-9-yl)carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-phenylcarbazol-3-yl]carbazole;3,6-di(carbazol-9-yl)-9-(4-methylphenyl)carbazole
CID 158450509
9-(4-iodophenyl)-3,6-dimethylcarbazole
CID 141350753

Frequently Asked Questions

What is the IUPAC name of 3-bromo-9-(4-tert-butylphenyl)-6-methylcarbazole?
The IUPAC name of 3-bromo-9-(4-tert-butylphenyl)-6-methylcarbazole (CID 91019320) is 3-bromo-9-(4-tert-butylphenyl)-6-methylcarbazole.
What is the SMILES notation for 3-bromo-9-(4-tert-butylphenyl)-6-methylcarbazole?
The canonical SMILES for 3-bromo-9-(4-tert-butylphenyl)-6-methylcarbazole is Cc1ccc2c(c1)c1cc(Br)ccc1n2-c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-bromo-9-(4-tert-butylphenyl)-6-methylcarbazole?
The InChIKey is LNZOHVSVFXCVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrN/c1-15-5-11-21-19(13-15)20-14-17(24)8-12-22(20)25(21)18-9-6-16(7-10-18)23(2,3)4/h5-14H,1-4H3.
What are the key properties of 3-bromo-9-(4-tert-butylphenyl)-6-methylcarbazole?
3-bromo-9-(4-tert-butylphenyl)-6-methylcarbazole has a molecular weight of 392.34 g/mol, XLogP of 7.15, 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-tert-butylphenyl)-6-methylcarbazole is sourced from PubChem (CID 91019320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).