9-(4-tert-butylphenyl)carbazole

C22H21N — CID 20688189

IUPAC9-(4-tert-butylphenyl)carbazole
SMILESCC(C)(C)c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C22H21N/c1-22(2,3)16-12-14-17(15-13-16)23-20-10-6-4-8-18(20)19-9-5-7-11-21(19)23/h4-15H,1-3H3
InChIKeyWCKADLRYWIXOEW-UHFFFAOYSA-N
MW299.42 g/mol
LogP6.08
Rot. Bonds1

About 9-(4-tert-butylphenyl)carbazole

9-(4-tert-butylphenyl)carbazole (PubChem CID 20688189) has the molecular formula C22H21N and a molecular weight of 299.42 g/mol. Its IUPAC name is 9-(4-tert-butylphenyl)carbazole.

Molecular Properties

Compound Name9-(4-tert-butylphenyl)carbazole
PubChem CID20688189
Molecular FormulaC22H21N
Molecular Weight299.42 g/mol
Exact Mass299.17
IUPAC Name9-(4-tert-butylphenyl)carbazole
SMILESCC(C)(C)c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C22H21N/c1-22(2,3)16-12-14-17(15-13-16)23-20-10-6-4-8-18(20)19-9-5-7-11-21(19)23/h4-15H,1-3H3
InChIKeyWCKADLRYWIXOEW-UHFFFAOYSA-N
XLogP6.08
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.42
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butylphenyl)carbazole?
The IUPAC name of 9-(4-tert-butylphenyl)carbazole (CID 20688189) is 9-(4-tert-butylphenyl)carbazole.
What is the SMILES notation for 9-(4-tert-butylphenyl)carbazole?
The canonical SMILES for 9-(4-tert-butylphenyl)carbazole is CC(C)(C)c1ccc(-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 9-(4-tert-butylphenyl)carbazole?
The InChIKey is WCKADLRYWIXOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N/c1-22(2,3)16-12-14-17(15-13-16)23-20-10-6-4-8-18(20)19-9-5-7-11-21(19)23/h4-15H,1-3H3.
What are the key properties of 9-(4-tert-butylphenyl)carbazole?
9-(4-tert-butylphenyl)carbazole has a molecular weight of 299.42 g/mol, XLogP of 6.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butylphenyl)carbazole is sourced from PubChem (CID 20688189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).