3-(4-tert-butylphenyl)-9H-carbazole

C22H21N — CID 91473096

IUPAC3-(4-tert-butylphenyl)-9H-carbazole
SMILESCC(C)(C)c1ccc(-c2ccc3[nH]c4ccccc4c3c2)cc1
InChIInChI=1S/C22H21N/c1-22(2,3)17-11-8-15(9-12-17)16-10-13-21-19(14-16)18-6-4-5-7-20(18)23-21/h4-14,23H,1-3H3
InChIKeyMRHGOEGOUHBFMK-UHFFFAOYSA-N
MW299.42 g/mol
LogP6.29
Rot. Bonds1

About 3-(4-tert-butylphenyl)-9H-carbazole

3-(4-tert-butylphenyl)-9H-carbazole (PubChem CID 91473096) has the molecular formula C22H21N and a molecular weight of 299.42 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-9H-carbazole.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-9H-carbazole
PubChem CID91473096
Molecular FormulaC22H21N
Molecular Weight299.42 g/mol
Exact Mass299.17
IUPAC Name3-(4-tert-butylphenyl)-9H-carbazole
SMILESCC(C)(C)c1ccc(-c2ccc3[nH]c4ccccc4c3c2)cc1
InChIInChI=1S/C22H21N/c1-22(2,3)17-11-8-15(9-12-17)16-10-13-21-19(14-16)18-6-4-5-7-20(18)23-21/h4-14,23H,1-3H3
InChIKeyMRHGOEGOUHBFMK-UHFFFAOYSA-N
XLogP6.29
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.42
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

3,6-bis(3,5-ditert-butylphenyl)-9H-carbazole
CID 137368303
9-tert-butyl-3,6-bis(9H-carbazol-3-yl)carbazole;2-methylpropane
CID 144867981
4-(9H-carbazol-3-yl)-N,N-diphenylaniline;ethane
CID 144639434
3,6-bis(9H-carbazol-3-yl)-9-(2,4,4-trimethylpentan-2-yl)carbazole
CID 144867954
3-[4-(2-methylpropyl)phenyl]-9H-carbazole
CID 66615207
3-(3,5-diphenylphenyl)-6-phenyl-9H-carbazole
CID 176723947
3-(3,4-dimethylnaphthalen-1-yl)-9H-carbazole
CID 144661628
benzene;ethane;3-(4-methylphenyl)-6-phenyl-9H-carbazole
CID 143905034
3-(9H-carbazol-3-yl)-6-(trifluoromethyl)-9-[4-(trifluoromethyl)phenyl]carbazole
CID 59307060
4-tert-butyl-N-(9H-carbazol-3-yl)benzamide
CID 43917219
bromoethane;4-(9H-carbazol-3-yl)-N,N-diphenylaniline
CID 144639430
2-triphenylen-2-yl-9H-carbazole
CID 118922949

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-9H-carbazole?
The IUPAC name of 3-(4-tert-butylphenyl)-9H-carbazole (CID 91473096) is 3-(4-tert-butylphenyl)-9H-carbazole.
What is the SMILES notation for 3-(4-tert-butylphenyl)-9H-carbazole?
The canonical SMILES for 3-(4-tert-butylphenyl)-9H-carbazole is CC(C)(C)c1ccc(-c2ccc3[nH]c4ccccc4c3c2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-9H-carbazole?
The InChIKey is MRHGOEGOUHBFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N/c1-22(2,3)17-11-8-15(9-12-17)16-10-13-21-19(14-16)18-6-4-5-7-20(18)23-21/h4-14,23H,1-3H3.
What are the key properties of 3-(4-tert-butylphenyl)-9H-carbazole?
3-(4-tert-butylphenyl)-9H-carbazole has a molecular weight of 299.42 g/mol, XLogP of 6.29, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-9H-carbazole is sourced from PubChem (CID 91473096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).