6-(6-pyridin-2-yl-3-pyridinyl)thieno[3,2-c]carbazole

C24H15N3S — CID 123165262

IUPAC6-(6-pyridin-2-yl-3-pyridinyl)thieno[3,2-c]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4c5sccc5ccc43)cn2)nc1
InChIInChI=1S/C24H15N3S/c1-2-7-21-18(5-1)23-22(11-8-16-12-14-28-24(16)23)27(21)17-9-10-20(26-15-17)19-6-3-4-13-25-19/h1-15H
InChIKeyKMERTWDRZZPRIP-UHFFFAOYSA-N
MW377.47 g/mol
LogP6.46
Rot. Bonds2

About 6-(6-pyridin-2-yl-3-pyridinyl)thieno[3,2-c]carbazole

6-(6-pyridin-2-yl-3-pyridinyl)thieno[3,2-c]carbazole (PubChem CID 123165262) has the molecular formula C24H15N3S and a molecular weight of 377.47 g/mol. Its IUPAC name is 6-(6-pyridin-2-yl-3-pyridinyl)thieno[3,2-c]carbazole.

Molecular Properties

Compound Name6-(6-pyridin-2-yl-3-pyridinyl)thieno[3,2-c]carbazole
PubChem CID123165262
Molecular FormulaC24H15N3S
Molecular Weight377.47 g/mol
Exact Mass377.10
IUPAC Name6-(6-pyridin-2-yl-3-pyridinyl)thieno[3,2-c]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4c5sccc5ccc43)cn2)nc1
InChIInChI=1S/C24H15N3S/c1-2-7-21-18(5-1)23-22(11-8-16-12-14-28-24(16)23)27(21)17-9-10-20(26-15-17)19-6-3-4-13-25-19/h1-15H
InChIKeyKMERTWDRZZPRIP-UHFFFAOYSA-N
XLogP6.46
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.47
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(6-pyridin-2-yl-3-pyridinyl)thieno[3,2-c]carbazole?
The IUPAC name of 6-(6-pyridin-2-yl-3-pyridinyl)thieno[3,2-c]carbazole (CID 123165262) is 6-(6-pyridin-2-yl-3-pyridinyl)thieno[3,2-c]carbazole.
What is the SMILES notation for 6-(6-pyridin-2-yl-3-pyridinyl)thieno[3,2-c]carbazole?
The canonical SMILES for 6-(6-pyridin-2-yl-3-pyridinyl)thieno[3,2-c]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4c5sccc5ccc43)cn2)nc1.
What is the InChIKey of 6-(6-pyridin-2-yl-3-pyridinyl)thieno[3,2-c]carbazole?
The InChIKey is KMERTWDRZZPRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N3S/c1-2-7-21-18(5-1)23-22(11-8-16-12-14-28-24(16)23)27(21)17-9-10-20(26-15-17)19-6-3-4-13-25-19/h1-15H.
What are the key properties of 6-(6-pyridin-2-yl-3-pyridinyl)thieno[3,2-c]carbazole?
6-(6-pyridin-2-yl-3-pyridinyl)thieno[3,2-c]carbazole has a molecular weight of 377.47 g/mol, XLogP of 6.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-pyridin-2-yl-3-pyridinyl)thieno[3,2-c]carbazole is sourced from PubChem (CID 123165262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).