2-(benzotriazol-1-yl)-2-carbazol-9-yl-N,4-diphenylbut-3-ynamide

C34H23N5O — CID 134872100

IUPAC2-(benzotriazol-1-yl)-2-carbazol-9-yl-N,4-diphenylbut-3-ynamide
SMILESO=C(Nc1ccccc1)C(C#Cc1ccccc1)(n1nnc2ccccc21)n1c2ccccc2c2ccccc21
InChIInChI=1S/C34H23N5O/c40-33(35-26-15-5-2-6-16-26)34(24-23-25-13-3-1-4-14-25,39-32-22-12-9-19-29(32)36-37-39)38-30-20-10-7-17-27(30)28-18-8-11-21-31(28)38/h1-22H,(H,35,40)
InChIKeyXAZWZRRFDJAGFQ-UHFFFAOYSA-N
MW517.59 g/mol
LogP6.43
Rot. Bonds4

About 2-(benzotriazol-1-yl)-2-carbazol-9-yl-N,4-diphenylbut-3-ynamide

2-(benzotriazol-1-yl)-2-carbazol-9-yl-N,4-diphenylbut-3-ynamide (PubChem CID 134872100) has the molecular formula C34H23N5O and a molecular weight of 517.59 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-2-carbazol-9-yl-N,4-diphenylbut-3-ynamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-2-carbazol-9-yl-N,4-diphenylbut-3-ynamide
PubChem CID134872100
Molecular FormulaC34H23N5O
Molecular Weight517.59 g/mol
Exact Mass517.19
IUPAC Name2-(benzotriazol-1-yl)-2-carbazol-9-yl-N,4-diphenylbut-3-ynamide
SMILESO=C(Nc1ccccc1)C(C#Cc1ccccc1)(n1nnc2ccccc21)n1c2ccccc2c2ccccc21
InChIInChI=1S/C34H23N5O/c40-33(35-26-15-5-2-6-16-26)34(24-23-25-13-3-1-4-14-25,39-32-22-12-9-19-29(32)36-37-39)38-30-20-10-7-17-27(30)28-18-8-11-21-31(28)38/h1-22H,(H,35,40)
InChIKeyXAZWZRRFDJAGFQ-UHFFFAOYSA-N
XLogP6.43
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.59
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-(benzotriazol-1-yl)-2-carbazol-9-yl-N,4-diphenylbut-3-ynamide with MolForge

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

Launch Full Analysis

Related Compounds

3-(benzotriazol-1-yl)-3-ethoxy-5-phenylpent-4-yn-2-one
CID 3496644
2-(benzotriazol-1-yl)-2-ethylbutanoic acid
CID 82152137
2-(benzotriazol-1-yl)-N,3-diphenylprop-2-enamide
CID 3746458
(2R)-2-(benzotriazol-1-yl)-4,4-dimethyl-3-oxo-N-phenylpentanethioamide;hydrate
CID 139067782
4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoic acid
CID 855546
2-(benzotriazol-1-yl)-2-methylpentanoic acid
CID 114993659
2-(benzotriazol-1-yl)-2,2-difluoroethanol
CID 118312748
N-[3-[[2-(benzotriazol-1-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 24657521
1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-phenylthiourea
CID 848903
1-(3-methyl-2-phenylsulfanylbutan-2-yl)benzotriazole
CID 3803457
2-[2-(2-anilino-2-oxoethyl)sulfanylbenzimidazol-1-yl]-N-phenylacetamide
CID 21177802
2-acridin-9-ylsulfanyl-N-(phenylcarbamoyl)acetamide
CID 12840972

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-2-carbazol-9-yl-N,4-diphenylbut-3-ynamide?
The IUPAC name of 2-(benzotriazol-1-yl)-2-carbazol-9-yl-N,4-diphenylbut-3-ynamide (CID 134872100) is 2-(benzotriazol-1-yl)-2-carbazol-9-yl-N,4-diphenylbut-3-ynamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-2-carbazol-9-yl-N,4-diphenylbut-3-ynamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-2-carbazol-9-yl-N,4-diphenylbut-3-ynamide is O=C(Nc1ccccc1)C(C#Cc1ccccc1)(n1nnc2ccccc21)n1c2ccccc2c2ccccc21.
What is the InChIKey of 2-(benzotriazol-1-yl)-2-carbazol-9-yl-N,4-diphenylbut-3-ynamide?
The InChIKey is XAZWZRRFDJAGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23N5O/c40-33(35-26-15-5-2-6-16-26)34(24-23-25-13-3-1-4-14-25,39-32-22-12-9-19-29(32)36-37-39)38-30-20-10-7-17-27(30)28-18-8-11-21-31(28)38/h1-22H,(H,35,40).
What are the key properties of 2-(benzotriazol-1-yl)-2-carbazol-9-yl-N,4-diphenylbut-3-ynamide?
2-(benzotriazol-1-yl)-2-carbazol-9-yl-N,4-diphenylbut-3-ynamide has a molecular weight of 517.59 g/mol, XLogP of 6.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-2-carbazol-9-yl-N,4-diphenylbut-3-ynamide is sourced from PubChem (CID 134872100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).