3-pyridin-2-yl-9-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)pyrido[3,4-b]indole

C24H13N3S3 — CID 140711347

IUPAC3-pyridin-2-yl-9-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)pyrido[3,4-b]indole
SMILESc1ccc(-c2cc3c4ccccc4n(-c4cc5sc6ccsc6c5s4)c3cn2)nc1
InChIInChI=1S/C24H13N3S3/c1-2-7-18-14(5-1)15-11-17(16-6-3-4-9-25-16)26-13-19(15)27(18)22-12-21-24(30-22)23-20(29-21)8-10-28-23/h1-13H
InChIKeyLVIUZDQGGUMIIU-UHFFFAOYSA-N
MW439.59 g/mol
LogP7.73
Rot. Bonds2

About 3-pyridin-2-yl-9-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)pyrido[3,4-b]indole

3-pyridin-2-yl-9-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)pyrido[3,4-b]indole (PubChem CID 140711347) has the molecular formula C24H13N3S3 and a molecular weight of 439.59 g/mol. Its IUPAC name is 3-pyridin-2-yl-9-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)pyrido[3,4-b]indole.

Molecular Properties

Compound Name3-pyridin-2-yl-9-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)pyrido[3,4-b]indole
PubChem CID140711347
Molecular FormulaC24H13N3S3
Molecular Weight439.59 g/mol
Exact Mass439.03
IUPAC Name3-pyridin-2-yl-9-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)pyrido[3,4-b]indole
SMILESc1ccc(-c2cc3c4ccccc4n(-c4cc5sc6ccsc6c5s4)c3cn2)nc1
InChIInChI=1S/C24H13N3S3/c1-2-7-18-14(5-1)15-11-17(16-6-3-4-9-25-16)26-13-19(15)27(18)22-12-21-24(30-22)23-20(29-21)8-10-28-23/h1-13H
InChIKeyLVIUZDQGGUMIIU-UHFFFAOYSA-N
XLogP7.73
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.59
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-pyridin-2-yl-9-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)pyrido[3,4-b]indole 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-pyridin-2-ylpyridine-4-carboxylic acid;ruthenium(2+);9-(10-thieno[3,2-b]thiophen-5-yl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-3-[9-(10-thieno[3,2-b]thiophen-5-yl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indole;diisothiocyanate
CID 140711328
2-pyridin-2-ylpyridine-4-carboxylic acid;ruthenium(2+);9-thieno[3,2-b]thiophen-5-yl-3-(9-thieno[3,2-b]thiophen-5-ylpyrido[3,4-b]indol-3-yl)pyrido[3,4-b]indole;diisothiocyanate
CID 140711344
9-(3-carbazol-9-ylphenyl)-3-pyridin-2-ylpyrido[3,4-b]indole
CID 139574913
9-methyl-3-pyridin-2-ylpyrido[3,4-b]indole
CID 70800051
6-(6-pyridin-2-yl-3-pyridinyl)thieno[3,2-c]carbazole
CID 123165262
9-(6-bromothieno[3,2-b]thiophen-5-yl)carbazole
CID 146321312
11-pyridin-2-yl-[1]benzothiolo[3,2-b]carbazole
CID 118488537
9-(6-carbazol-9-yl-9,10-dipyridin-2-ylanthracen-2-yl)carbazole
CID 59221065
3-carbazol-9-yl-9-(3-carbazol-9-yl-5-pyridin-2-ylphenyl)carbazole
CID 155770026
6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9-phenyl-3-pyridin-2-ylpyrido[3,4-b]indole
CID 88886703
[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-(4-pyridin-2-ylphenyl)silane
CID 132545707
9-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]pyrido[3,4-b]indole
CID 58750621

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-9-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)pyrido[3,4-b]indole?
The IUPAC name of 3-pyridin-2-yl-9-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)pyrido[3,4-b]indole (CID 140711347) is 3-pyridin-2-yl-9-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)pyrido[3,4-b]indole.
What is the SMILES notation for 3-pyridin-2-yl-9-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)pyrido[3,4-b]indole?
The canonical SMILES for 3-pyridin-2-yl-9-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)pyrido[3,4-b]indole is c1ccc(-c2cc3c4ccccc4n(-c4cc5sc6ccsc6c5s4)c3cn2)nc1.
What is the InChIKey of 3-pyridin-2-yl-9-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)pyrido[3,4-b]indole?
The InChIKey is LVIUZDQGGUMIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13N3S3/c1-2-7-18-14(5-1)15-11-17(16-6-3-4-9-25-16)26-13-19(15)27(18)22-12-21-24(30-22)23-20(29-21)8-10-28-23/h1-13H.
What are the key properties of 3-pyridin-2-yl-9-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)pyrido[3,4-b]indole?
3-pyridin-2-yl-9-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)pyrido[3,4-b]indole has a molecular weight of 439.59 g/mol, XLogP of 7.73, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-9-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)pyrido[3,4-b]indole is sourced from PubChem (CID 140711347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).