9-carbazol-9-yl-1-(2-pyridin-4-ylethynyl)carbazole

C31H19N3 — CID 175523015

IUPAC9-carbazol-9-yl-1-(2-pyridin-4-ylethynyl)carbazole
SMILESC(#Cc1cccc2c3ccccc3n(-n3c4ccccc4c4ccccc43)c12)c1ccncc1
InChIInChI=1S/C31H19N3/c1-4-13-28-24(9-1)25-10-2-5-14-29(25)33(28)34-30-15-6-3-11-26(30)27-12-7-8-23(31(27)34)17-16-22-18-20-32-21-19-22/h1-15,18-21H
InChIKeyPDCCICPMJWDNJX-UHFFFAOYSA-N
MW433.51 g/mol
LogP7.01
Rot. Bonds1

About 9-carbazol-9-yl-1-(2-pyridin-4-ylethynyl)carbazole

9-carbazol-9-yl-1-(2-pyridin-4-ylethynyl)carbazole (PubChem CID 175523015) has the molecular formula C31H19N3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 9-carbazol-9-yl-1-(2-pyridin-4-ylethynyl)carbazole.

Molecular Properties

Compound Name9-carbazol-9-yl-1-(2-pyridin-4-ylethynyl)carbazole
PubChem CID175523015
Molecular FormulaC31H19N3
Molecular Weight433.51 g/mol
Exact Mass433.16
IUPAC Name9-carbazol-9-yl-1-(2-pyridin-4-ylethynyl)carbazole
SMILESC(#Cc1cccc2c3ccccc3n(-n3c4ccccc4c4ccccc43)c12)c1ccncc1
InChIInChI=1S/C31H19N3/c1-4-13-28-24(9-1)25-10-2-5-14-29(25)33(28)34-30-15-6-3-11-26(30)27-12-7-8-23(31(27)34)17-16-22-18-20-32-21-19-22/h1-15,18-21H
InChIKeyPDCCICPMJWDNJX-UHFFFAOYSA-N
XLogP7.01
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9-carbazol-9-yl-1-(2-pyridin-4-ylethynyl)carbazole 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

2-(2-pyridin-4-ylethynyl)phenol
CID 175485114
4-[2-(2-bromophenyl)ethynyl]pyridine
CID 131366975
9-pyrido[3,4-b]indol-9-ylpyrido[3,4-b]indole
CID 86059681
2-[2-[2-[2-[2,6-bis(2-pyridin-4-ylethynyl)phenoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102049517
4-[2-[2-(2-methylpropyl)phenyl]ethynyl]pyridine
CID 58439628
1-(2-phenylethynyl)-5-[5-(2-phenylethynyl)naphthalen-1-yl]naphthalene
CID 139963297
4-[1-(2-cyanophenyl)carbazol-9-yl]-5-phenyl-2-pyridin-4-ylbenzonitrile
CID 138565530
4-[2-[6-(2-pyridin-4-ylethynyl)pyren-1-yl]ethynyl]pyridine
CID 132518706
4-(1-phenylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile
CID 138566326
9-phenyl-8-(9-phenylcarbazol-1-yl)pyrido[3,4-b]indole
CID 129221348
19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 12951299
9-phenylcarbazole;pyridine
CID 158880805

Frequently Asked Questions

What is the IUPAC name of 9-carbazol-9-yl-1-(2-pyridin-4-ylethynyl)carbazole?
The IUPAC name of 9-carbazol-9-yl-1-(2-pyridin-4-ylethynyl)carbazole (CID 175523015) is 9-carbazol-9-yl-1-(2-pyridin-4-ylethynyl)carbazole.
What is the SMILES notation for 9-carbazol-9-yl-1-(2-pyridin-4-ylethynyl)carbazole?
The canonical SMILES for 9-carbazol-9-yl-1-(2-pyridin-4-ylethynyl)carbazole is C(#Cc1cccc2c3ccccc3n(-n3c4ccccc4c4ccccc43)c12)c1ccncc1.
What is the InChIKey of 9-carbazol-9-yl-1-(2-pyridin-4-ylethynyl)carbazole?
The InChIKey is PDCCICPMJWDNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N3/c1-4-13-28-24(9-1)25-10-2-5-14-29(25)33(28)34-30-15-6-3-11-26(30)27-12-7-8-23(31(27)34)17-16-22-18-20-32-21-19-22/h1-15,18-21H.
What are the key properties of 9-carbazol-9-yl-1-(2-pyridin-4-ylethynyl)carbazole?
9-carbazol-9-yl-1-(2-pyridin-4-ylethynyl)carbazole has a molecular weight of 433.51 g/mol, XLogP of 7.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-carbazol-9-yl-1-(2-pyridin-4-ylethynyl)carbazole is sourced from PubChem (CID 175523015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).