9-(4-tert-butylphenyl)-3-propan-2-ylcarbazole

C25H27N — CID 170191749

IUPAC9-(4-tert-butylphenyl)-3-propan-2-ylcarbazole
SMILESCC(C)c1ccc2c(c1)c1ccccc1n2-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C25H27N/c1-17(2)18-10-15-24-22(16-18)21-8-6-7-9-23(21)26(24)20-13-11-19(12-14-20)25(3,4)5/h6-17H,1-5H3
InChIKeyYPCBAHVTABTURN-UHFFFAOYSA-N
MW341.50 g/mol
LogP7.20
Rot. Bonds2

About 9-(4-tert-butylphenyl)-3-propan-2-ylcarbazole

9-(4-tert-butylphenyl)-3-propan-2-ylcarbazole (PubChem CID 170191749) has the molecular formula C25H27N and a molecular weight of 341.50 g/mol. Its IUPAC name is 9-(4-tert-butylphenyl)-3-propan-2-ylcarbazole.

Molecular Properties

Compound Name9-(4-tert-butylphenyl)-3-propan-2-ylcarbazole
PubChem CID170191749
Molecular FormulaC25H27N
Molecular Weight341.50 g/mol
Exact Mass341.21
IUPAC Name9-(4-tert-butylphenyl)-3-propan-2-ylcarbazole
SMILESCC(C)c1ccc2c(c1)c1ccccc1n2-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C25H27N/c1-17(2)18-10-15-24-22(16-18)21-8-6-7-9-23(21)26(24)20-13-11-19(12-14-20)25(3,4)5/h6-17H,1-5H3
InChIKeyYPCBAHVTABTURN-UHFFFAOYSA-N
XLogP7.20
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.50
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-propan-2-yl-9-(9-triphenylen-2-ylcarbazol-3-yl)carbazole
CID 166922874
2-tert-butyl-9-(4-phenylphenyl)-7-[9-(4-propan-2-ylphenyl)carbazol-2-yl]carbazole
CID 134419811
9-(4-propan-2-ylphenyl)-3-[3-[9-[9-(4-propan-2-ylphenyl)carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazole
CID 71232684
3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314
N-(4-tert-butylphenyl)-9-phenyl-N-propan-2-ylcarbazol-3-amine
CID 166947089
3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole
CID 59399108
9-[4-[2-(4-tert-butylphenyl)ethynyl]phenyl]carbazole
CID 141209126
4-tert-butyl-N-(4-carbazol-9-ylphenyl)aniline
CID 172632708
9-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole;9-[4-[5-(3,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole;9-[4-[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole;9-[4-[4-phenyl-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]phenyl]carbazole
CID 158512699
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-tert-butylphenyl)-3,6-bis[9-(4-tert-butylphenyl)carbazol-3-yl]carbazole;9-(4-methylphenyl)-3,6-bis[9-(4-methylphenyl)carbazol-3-yl]carbazole;3-(4-methylphenyl)-6-[6-(4-methylphenyl)-9-[4-(trideuteriomethyl)phenyl]carbazol-3-yl]-9-[4-(trideuteriomethyl)phenyl]carbazole;3-methyl-6-(trideuteriomethyl)-9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazole;9-(4-propan-2-ylphenyl)-3,6-bis[9-(4-propan-2-ylphenyl)carbazol-3-yl]carbazole;9-[4-(trideuteriomethyl)phenyl]-3,6-bis[9-[4-(trideuteriomethyl)phenyl]carbazol-3-yl]carbazole
CID 159244080
2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121355698

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butylphenyl)-3-propan-2-ylcarbazole?
The IUPAC name of 9-(4-tert-butylphenyl)-3-propan-2-ylcarbazole (CID 170191749) is 9-(4-tert-butylphenyl)-3-propan-2-ylcarbazole.
What is the SMILES notation for 9-(4-tert-butylphenyl)-3-propan-2-ylcarbazole?
The canonical SMILES for 9-(4-tert-butylphenyl)-3-propan-2-ylcarbazole is CC(C)c1ccc2c(c1)c1ccccc1n2-c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 9-(4-tert-butylphenyl)-3-propan-2-ylcarbazole?
The InChIKey is YPCBAHVTABTURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N/c1-17(2)18-10-15-24-22(16-18)21-8-6-7-9-23(21)26(24)20-13-11-19(12-14-20)25(3,4)5/h6-17H,1-5H3.
What are the key properties of 9-(4-tert-butylphenyl)-3-propan-2-ylcarbazole?
9-(4-tert-butylphenyl)-3-propan-2-ylcarbazole has a molecular weight of 341.50 g/mol, XLogP of 7.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butylphenyl)-3-propan-2-ylcarbazole is sourced from PubChem (CID 170191749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).