3-methyl-9-(3-propan-2-ylphenyl)carbazole

C22H21N — CID 163993337

IUPAC3-methyl-9-(3-propan-2-ylphenyl)carbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1cccc(C(C)C)c1
InChIInChI=1S/C22H21N/c1-15(2)17-7-6-8-18(14-17)23-21-10-5-4-9-19(21)20-13-16(3)11-12-22(20)23/h4-15H,1-3H3
InChIKeySBDVLPVTMBFVRV-UHFFFAOYSA-N
MW299.42 g/mol
LogP6.22
Rot. Bonds2

About 3-methyl-9-(3-propan-2-ylphenyl)carbazole

3-methyl-9-(3-propan-2-ylphenyl)carbazole (PubChem CID 163993337) has the molecular formula C22H21N and a molecular weight of 299.42 g/mol. Its IUPAC name is 3-methyl-9-(3-propan-2-ylphenyl)carbazole.

Molecular Properties

Compound Name3-methyl-9-(3-propan-2-ylphenyl)carbazole
PubChem CID163993337
Molecular FormulaC22H21N
Molecular Weight299.42 g/mol
Exact Mass299.17
IUPAC Name3-methyl-9-(3-propan-2-ylphenyl)carbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1cccc(C(C)C)c1
InChIInChI=1S/C22H21N/c1-15(2)17-7-6-8-18(14-17)23-21-10-5-4-9-19(21)20-13-16(3)11-12-22(20)23/h4-15H,1-3H3
InChIKeySBDVLPVTMBFVRV-UHFFFAOYSA-N
XLogP6.22
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.42
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-9-(3-propan-2-ylphenyl)carbazole?
The IUPAC name of 3-methyl-9-(3-propan-2-ylphenyl)carbazole (CID 163993337) is 3-methyl-9-(3-propan-2-ylphenyl)carbazole.
What is the SMILES notation for 3-methyl-9-(3-propan-2-ylphenyl)carbazole?
The canonical SMILES for 3-methyl-9-(3-propan-2-ylphenyl)carbazole is Cc1ccc2c(c1)c1ccccc1n2-c1cccc(C(C)C)c1.
What is the InChIKey of 3-methyl-9-(3-propan-2-ylphenyl)carbazole?
The InChIKey is SBDVLPVTMBFVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N/c1-15(2)17-7-6-8-18(14-17)23-21-10-5-4-9-19(21)20-13-16(3)11-12-22(20)23/h4-15H,1-3H3.
What are the key properties of 3-methyl-9-(3-propan-2-ylphenyl)carbazole?
3-methyl-9-(3-propan-2-ylphenyl)carbazole has a molecular weight of 299.42 g/mol, XLogP of 6.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-9-(3-propan-2-ylphenyl)carbazole is sourced from PubChem (CID 163993337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).