(8-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenyl-(8-pyrido[3,2-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane

C57H35N5S2Si — CID 140811727

About (8-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenyl-(8-pyrido[3,2-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane

(8-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenyl-(8-pyrido[3,2-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane (PubChem CID 140811727) has the molecular formula C57H35N5S2Si and a molecular weight of 882.16 g/mol. Its IUPAC name is (8-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenyl-(8-pyrido[3,2-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane.

Molecular Properties

• Compound Name: (8-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenyl-(8-pyrido[3,2-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane
• PubChem CID: 140811727
• Molecular Formula: C57H35N5S2Si
• Molecular Weight: 882.16 g/mol
• Exact Mass: 881.21
• IUPAC Name: (8-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenyl-(8-pyrido[3,2-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane
• SMILES: c1ccc([Si](c2ccccc2)(c2nccc3c2sc2c(-n4c5ccccc5c5ccccc54)cccc23)c2nccc3c2sc2c(-n4c5ccccc5c5ncccc54)cccc23)cc1
• InChI: InChI=1S/C57H35N5S2Si/c1-3-16-36(17-4-1)65(37-18-5-2-6-19-37,56-54-42(31-34-59-56)40-23-13-28-49(52(40)63-54)61-45-25-10-7-20-38(45)39-21-8-11-26-46(39)61)57-55-43(32-35-60-57)41-24-14-29-50(53(41)64-55)62-47-27-12-9-22-44(47)51-48(62)30-15-33-58-51/h1-35H
• InChIKey: CCLDAHRUBDRSKS-UHFFFAOYSA-N
• XLogP: 12.18
• TPSA: 48.53 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	882.16
LogP ≤ 5	12.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (8-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenyl-(8-pyrido[3,2-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane?

The IUPAC name of (8-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenyl-(8-pyrido[3,2-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane (CID 140811727) is (8-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenyl-(8-pyrido[3,2-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane.

What is the SMILES notation for (8-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenyl-(8-pyrido[3,2-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane?

The canonical SMILES for (8-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenyl-(8-pyrido[3,2-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane is c1ccc([Si](c2ccccc2)(c2nccc3c2sc2c(-n4c5ccccc5c5ccccc54)cccc23)c2nccc3c2sc2c(-n4c5ccccc5c5ncccc54)cccc23)cc1.

What is the InChIKey of (8-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenyl-(8-pyrido[3,2-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane?

The InChIKey is CCLDAHRUBDRSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5S2Si/c1-3-16-36(17-4-1)65(37-18-5-2-6-19-37,56-54-42(31-34-59-56)40-23-13-28-49(52(40)63-54)61-45-25-10-7-20-38(45)39-21-8-11-26-46(39)61)57-55-43(32-35-60-57)41-24-14-29-50(53(41)64-55)62-47-27-12-9-22-44(47)51-48(62)30-15-33-58-51/h1-35H.

What are the key properties of (8-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenyl-(8-pyrido[3,2-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane?

(8-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenyl-(8-pyrido[3,2-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane has a molecular weight of 882.16 g/mol, XLogP of 12.18, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (8-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenyl-(8-pyrido[3,2-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane is sourced from PubChem (CID 140811727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).