3-[4-(2-methylpropyl)phenyl]-9H-carbazole

C22H21N — CID 66615207

IUPAC3-[4-(2-methylpropyl)phenyl]-9H-carbazole
SMILESCC(C)Cc1ccc(-c2ccc3[nH]c4ccccc4c3c2)cc1
InChIInChI=1S/C22H21N/c1-15(2)13-16-7-9-17(10-8-16)18-11-12-22-20(14-18)19-5-3-4-6-21(19)23-22/h3-12,14-15,23H,13H2,1-2H3
InChIKeyTZOVFDOHDLQFOJ-UHFFFAOYSA-N
MW299.42 g/mol
LogP6.19
Rot. Bonds3

About 3-[4-(2-methylpropyl)phenyl]-9H-carbazole

3-[4-(2-methylpropyl)phenyl]-9H-carbazole (PubChem CID 66615207) has the molecular formula C22H21N and a molecular weight of 299.42 g/mol. Its IUPAC name is 3-[4-(2-methylpropyl)phenyl]-9H-carbazole.

Molecular Properties

Compound Name3-[4-(2-methylpropyl)phenyl]-9H-carbazole
PubChem CID66615207
Molecular FormulaC22H21N
Molecular Weight299.42 g/mol
Exact Mass299.17
IUPAC Name3-[4-(2-methylpropyl)phenyl]-9H-carbazole
SMILESCC(C)Cc1ccc(-c2ccc3[nH]c4ccccc4c3c2)cc1
InChIInChI=1S/C22H21N/c1-15(2)13-16-7-9-17(10-8-16)18-11-12-22-20(14-18)19-5-3-4-6-21(19)23-22/h3-12,14-15,23H,13H2,1-2H3
InChIKeyTZOVFDOHDLQFOJ-UHFFFAOYSA-N
XLogP6.19
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.42
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylpropyl)phenyl]-9H-carbazole?
The IUPAC name of 3-[4-(2-methylpropyl)phenyl]-9H-carbazole (CID 66615207) is 3-[4-(2-methylpropyl)phenyl]-9H-carbazole.
What is the SMILES notation for 3-[4-(2-methylpropyl)phenyl]-9H-carbazole?
The canonical SMILES for 3-[4-(2-methylpropyl)phenyl]-9H-carbazole is CC(C)Cc1ccc(-c2ccc3[nH]c4ccccc4c3c2)cc1.
What is the InChIKey of 3-[4-(2-methylpropyl)phenyl]-9H-carbazole?
The InChIKey is TZOVFDOHDLQFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N/c1-15(2)13-16-7-9-17(10-8-16)18-11-12-22-20(14-18)19-5-3-4-6-21(19)23-22/h3-12,14-15,23H,13H2,1-2H3.
What are the key properties of 3-[4-(2-methylpropyl)phenyl]-9H-carbazole?
3-[4-(2-methylpropyl)phenyl]-9H-carbazole has a molecular weight of 299.42 g/mol, XLogP of 6.19, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylpropyl)phenyl]-9H-carbazole is sourced from PubChem (CID 66615207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).