6-(1-benzothiophen-2-yl)thieno[3,2-c]carbazole

C22H13NS2 — CID 123366625

IUPAC6-(1-benzothiophen-2-yl)thieno[3,2-c]carbazole
SMILESc1ccc2sc(-n3c4ccccc4c4c5sccc5ccc43)cc2c1
InChIInChI=1S/C22H13NS2/c1-4-8-19-15(5-1)13-20(25-19)23-17-7-3-2-6-16(17)21-18(23)10-9-14-11-12-24-22(14)21/h1-13H
InChIKeyVCLBMHUDZZCIFI-UHFFFAOYSA-N
MW355.49 g/mol
LogP7.21
Rot. Bonds1

About 6-(1-benzothiophen-2-yl)thieno[3,2-c]carbazole

6-(1-benzothiophen-2-yl)thieno[3,2-c]carbazole (PubChem CID 123366625) has the molecular formula C22H13NS2 and a molecular weight of 355.49 g/mol. Its IUPAC name is 6-(1-benzothiophen-2-yl)thieno[3,2-c]carbazole.

Molecular Properties

Compound Name6-(1-benzothiophen-2-yl)thieno[3,2-c]carbazole
PubChem CID123366625
Molecular FormulaC22H13NS2
Molecular Weight355.49 g/mol
Exact Mass355.05
IUPAC Name6-(1-benzothiophen-2-yl)thieno[3,2-c]carbazole
SMILESc1ccc2sc(-n3c4ccccc4c4c5sccc5ccc43)cc2c1
InChIInChI=1S/C22H13NS2/c1-4-8-19-15(5-1)13-20(25-19)23-17-7-3-2-6-16(17)21-18(23)10-9-14-11-12-24-22(14)21/h1-13H
InChIKeyVCLBMHUDZZCIFI-UHFFFAOYSA-N
XLogP7.21
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.49
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-triphenylen-2-ylphenyl)thieno[3,2-c]carbazole
CID 123633053
6-quinolin-5-ylthieno[3,2-c]carbazole
CID 118228164
6-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]thieno[3,2-c]carbazole
CID 135264413
6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]thieno[3,2-c]carbazole
CID 118228677
6-[4-(2-phenylimidazol-1-yl)phenyl]thieno[3,2-c]carbazole
CID 118227962
6-(6-pyridin-2-yl-3-pyridinyl)thieno[3,2-c]carbazole
CID 123165262
6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]thieno[3,2-c]carbazole
CID 118229376
6-[3-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]carbazole
CID 118229434
6-[3-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]thieno[3,2-c]carbazole
CID 118229357
2-bromotriphenylene;6H-thieno[3,2-c]carbazole;6-triphenylen-2-ylthieno[3,2-c]carbazole
CID 159917553
9-[4-(3,5-diphenylphenyl)phenyl]-24-thia-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 122466081
6-naphthalen-1-ylthieno[2,3-c]carbazole
CID 123514574

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzothiophen-2-yl)thieno[3,2-c]carbazole?
The IUPAC name of 6-(1-benzothiophen-2-yl)thieno[3,2-c]carbazole (CID 123366625) is 6-(1-benzothiophen-2-yl)thieno[3,2-c]carbazole.
What is the SMILES notation for 6-(1-benzothiophen-2-yl)thieno[3,2-c]carbazole?
The canonical SMILES for 6-(1-benzothiophen-2-yl)thieno[3,2-c]carbazole is c1ccc2sc(-n3c4ccccc4c4c5sccc5ccc43)cc2c1.
What is the InChIKey of 6-(1-benzothiophen-2-yl)thieno[3,2-c]carbazole?
The InChIKey is VCLBMHUDZZCIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13NS2/c1-4-8-19-15(5-1)13-20(25-19)23-17-7-3-2-6-16(17)21-18(23)10-9-14-11-12-24-22(14)21/h1-13H.
What are the key properties of 6-(1-benzothiophen-2-yl)thieno[3,2-c]carbazole?
6-(1-benzothiophen-2-yl)thieno[3,2-c]carbazole has a molecular weight of 355.49 g/mol, XLogP of 7.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzothiophen-2-yl)thieno[3,2-c]carbazole is sourced from PubChem (CID 123366625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).