9-[2-(2,2-dimethylpropyl)phenyl]carbazole

C23H23N — CID 154939343

IUPAC9-[2-(2,2-dimethylpropyl)phenyl]carbazole
SMILESCC(C)(C)Cc1ccccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C23H23N/c1-23(2,3)16-17-10-4-7-13-20(17)24-21-14-8-5-11-18(21)19-12-6-9-15-22(19)24/h4-15H,16H2,1-3H3
InChIKeyGQJFDXXMTBLNNE-UHFFFAOYSA-N
MW313.44 g/mol
LogP6.37
Rot. Bonds2

About 9-[2-(2,2-dimethylpropyl)phenyl]carbazole

9-[2-(2,2-dimethylpropyl)phenyl]carbazole (PubChem CID 154939343) has the molecular formula C23H23N and a molecular weight of 313.44 g/mol. Its IUPAC name is 9-[2-(2,2-dimethylpropyl)phenyl]carbazole.

Molecular Properties

Compound Name9-[2-(2,2-dimethylpropyl)phenyl]carbazole
PubChem CID154939343
Molecular FormulaC23H23N
Molecular Weight313.44 g/mol
Exact Mass313.18
IUPAC Name9-[2-(2,2-dimethylpropyl)phenyl]carbazole
SMILESCC(C)(C)Cc1ccccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C23H23N/c1-23(2,3)16-17-10-4-7-13-20(17)24-21-14-8-5-11-18(21)19-12-6-9-15-22(19)24/h4-15H,16H2,1-3H3
InChIKeyGQJFDXXMTBLNNE-UHFFFAOYSA-N
XLogP6.37
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.44
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(2,2-dimethylpropyl)phenyl]carbazole?
The IUPAC name of 9-[2-(2,2-dimethylpropyl)phenyl]carbazole (CID 154939343) is 9-[2-(2,2-dimethylpropyl)phenyl]carbazole.
What is the SMILES notation for 9-[2-(2,2-dimethylpropyl)phenyl]carbazole?
The canonical SMILES for 9-[2-(2,2-dimethylpropyl)phenyl]carbazole is CC(C)(C)Cc1ccccc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[2-(2,2-dimethylpropyl)phenyl]carbazole?
The InChIKey is GQJFDXXMTBLNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N/c1-23(2,3)16-17-10-4-7-13-20(17)24-21-14-8-5-11-18(21)19-12-6-9-15-22(19)24/h4-15H,16H2,1-3H3.
What are the key properties of 9-[2-(2,2-dimethylpropyl)phenyl]carbazole?
9-[2-(2,2-dimethylpropyl)phenyl]carbazole has a molecular weight of 313.44 g/mol, XLogP of 6.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2,2-dimethylpropyl)phenyl]carbazole is sourced from PubChem (CID 154939343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).