2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-(4-methylphenyl)ethanone

C24H20N4O — CID 155526283

IUPAC2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)Cn2cc(Cn3c4ccccc4c4ccccc43)nn2)cc1
InChIInChI=1S/C24H20N4O/c1-17-10-12-18(13-11-17)24(29)16-27-14-19(25-26-27)15-28-22-8-4-2-6-20(22)21-7-3-5-9-23(21)28/h2-14H,15-16H2,1H3
InChIKeyZKPRQZBJSXWCLK-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.63
Rot. Bonds5

About 2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-(4-methylphenyl)ethanone

2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-(4-methylphenyl)ethanone (PubChem CID 155526283) has the molecular formula C24H20N4O and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-(4-methylphenyl)ethanone
PubChem CID155526283
Molecular FormulaC24H20N4O
Molecular Weight380.45 g/mol
Exact Mass380.16
IUPAC Name2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)Cn2cc(Cn3c4ccccc4c4ccccc43)nn2)cc1
InChIInChI=1S/C24H20N4O/c1-17-10-12-18(13-11-17)24(29)16-27-14-19(25-26-27)15-28-22-8-4-2-6-20(22)21-7-3-5-9-23(21)28/h2-14H,15-16H2,1H3
InChIKeyZKPRQZBJSXWCLK-UHFFFAOYSA-N
XLogP4.63
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-(4-methylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-(4-methylphenyl)ethanone (CID 155526283) is 2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-(4-methylphenyl)ethanone is Cc1ccc(C(=O)Cn2cc(Cn3c4ccccc4c4ccccc43)nn2)cc1.
What is the InChIKey of 2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-(4-methylphenyl)ethanone?
The InChIKey is ZKPRQZBJSXWCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O/c1-17-10-12-18(13-11-17)24(29)16-27-14-19(25-26-27)15-28-22-8-4-2-6-20(22)21-7-3-5-9-23(21)28/h2-14H,15-16H2,1H3.
What are the key properties of 2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-(4-methylphenyl)ethanone?
2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-(4-methylphenyl)ethanone has a molecular weight of 380.45 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 155526283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).