3-ethynyl-6,9-bis(prop-2-enyl)carbazole

C20H17N — CID 87534177

IUPAC3-ethynyl-6,9-bis(prop-2-enyl)carbazole
SMILESC#Cc1ccc2c(c1)c1cc(CC=C)ccc1n2CC=C
InChIInChI=1S/C20H17N/c1-4-7-16-9-11-20-18(14-16)17-13-15(6-3)8-10-19(17)21(20)12-5-2/h3-5,8-11,13-14H,1-2,7,12H2
InChIKeyVPMORAOQCHPKSL-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.69
Rot. Bonds4

About 3-ethynyl-6,9-bis(prop-2-enyl)carbazole

3-ethynyl-6,9-bis(prop-2-enyl)carbazole (PubChem CID 87534177) has the molecular formula C20H17N and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-ethynyl-6,9-bis(prop-2-enyl)carbazole.

Molecular Properties

Compound Name3-ethynyl-6,9-bis(prop-2-enyl)carbazole
PubChem CID87534177
Molecular FormulaC20H17N
Molecular Weight271.36 g/mol
Exact Mass271.14
IUPAC Name3-ethynyl-6,9-bis(prop-2-enyl)carbazole
SMILESC#Cc1ccc2c(c1)c1cc(CC=C)ccc1n2CC=C
InChIInChI=1S/C20H17N/c1-4-7-16-9-11-20-18(14-16)17-13-15(6-3)8-10-19(17)21(20)12-5-2/h3-5,8-11,13-14H,1-2,7,12H2
InChIKeyVPMORAOQCHPKSL-UHFFFAOYSA-N
XLogP4.69
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-ethynyl-6,9-bis(prop-2-enyl)carbazole 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 3-ethynyl-6,9-bis(prop-2-enyl)carbazole?
The IUPAC name of 3-ethynyl-6,9-bis(prop-2-enyl)carbazole (CID 87534177) is 3-ethynyl-6,9-bis(prop-2-enyl)carbazole.
What is the SMILES notation for 3-ethynyl-6,9-bis(prop-2-enyl)carbazole?
The canonical SMILES for 3-ethynyl-6,9-bis(prop-2-enyl)carbazole is C#Cc1ccc2c(c1)c1cc(CC=C)ccc1n2CC=C.
What is the InChIKey of 3-ethynyl-6,9-bis(prop-2-enyl)carbazole?
The InChIKey is VPMORAOQCHPKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N/c1-4-7-16-9-11-20-18(14-16)17-13-15(6-3)8-10-19(17)21(20)12-5-2/h3-5,8-11,13-14H,1-2,7,12H2.
What are the key properties of 3-ethynyl-6,9-bis(prop-2-enyl)carbazole?
3-ethynyl-6,9-bis(prop-2-enyl)carbazole has a molecular weight of 271.36 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynyl-6,9-bis(prop-2-enyl)carbazole is sourced from PubChem (CID 87534177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).