8-carbazol-9-yl-2-methyl-1-(3-methyl-1-benzotellurophen-2-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium

C33H23N2STe+ — CID 171459053

About 8-carbazol-9-yl-2-methyl-1-(3-methyl-1-benzotellurophen-2-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium

8-carbazol-9-yl-2-methyl-1-(3-methyl-1-benzotellurophen-2-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium (PubChem CID 171459053) has the molecular formula C33H23N2STe+ and a molecular weight of 607.23 g/mol. Its IUPAC name is 8-carbazol-9-yl-2-methyl-1-(3-methyl-1-benzotellurophen-2-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium.

Molecular Properties

• Compound Name: 8-carbazol-9-yl-2-methyl-1-(3-methyl-1-benzotellurophen-2-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium
• PubChem CID: 171459053
• Molecular Formula: C33H23N2STe+
• Molecular Weight: 607.23 g/mol
• Exact Mass: 609.06
• IUPAC Name: 8-carbazol-9-yl-2-methyl-1-(3-methyl-1-benzotellurophen-2-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium
• SMILES: Cc1c(-c2c3sc4c(-n5c6ccccc6c6ccccc65)cccc4c3cc[n+]2C)[te]c2ccccc12
• InChI: InChI=1S/C33H23N2STe/c1-20-21-10-5-8-17-29(21)37-33(20)30-32-25(18-19-34(30)2)24-13-9-16-28(31(24)36-32)35-26-14-6-3-11-22(26)23-12-4-7-15-27(23)35/h3-19H,1-2H3/q+1
• InChIKey: ATGUOXVGOFHHQF-UHFFFAOYSA-N
• XLogP: 8.16
• TPSA: 8.81 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	607.23
LogP ≤ 5	8.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-carbazol-9-yl-2-methyl-1-(3-methyl-1-benzotellurophen-2-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium?

The IUPAC name of 8-carbazol-9-yl-2-methyl-1-(3-methyl-1-benzotellurophen-2-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium (CID 171459053) is 8-carbazol-9-yl-2-methyl-1-(3-methyl-1-benzotellurophen-2-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium.

What is the SMILES notation for 8-carbazol-9-yl-2-methyl-1-(3-methyl-1-benzotellurophen-2-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium?

The canonical SMILES for 8-carbazol-9-yl-2-methyl-1-(3-methyl-1-benzotellurophen-2-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium is Cc1c(-c2c3sc4c(-n5c6ccccc6c6ccccc65)cccc4c3cc[n+]2C)[te]c2ccccc12.

What is the InChIKey of 8-carbazol-9-yl-2-methyl-1-(3-methyl-1-benzotellurophen-2-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium?

The InChIKey is ATGUOXVGOFHHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N2STe/c1-20-21-10-5-8-17-29(21)37-33(20)30-32-25(18-19-34(30)2)24-13-9-16-28(31(24)36-32)35-26-14-6-3-11-22(26)23-12-4-7-15-27(23)35/h3-19H,1-2H3/q+1.

What are the key properties of 8-carbazol-9-yl-2-methyl-1-(3-methyl-1-benzotellurophen-2-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium?

8-carbazol-9-yl-2-methyl-1-(3-methyl-1-benzotellurophen-2-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium has a molecular weight of 607.23 g/mol, XLogP of 8.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 8-carbazol-9-yl-2-methyl-1-(3-methyl-1-benzotellurophen-2-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium is sourced from PubChem (CID 171459053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).