diphenyl-bis(6-pyrido[3,4-b]indol-9-yl-[1]benzofuro[2,3-c]pyridin-1-yl)silane

C56H34N6O2Si — CID 140811487

About diphenyl-bis(6-pyrido[3,4-b]indol-9-yl-[1]benzofuro[2,3-c]pyridin-1-yl)silane

diphenyl-bis(6-pyrido[3,4-b]indol-9-yl-[1]benzofuro[2,3-c]pyridin-1-yl)silane (PubChem CID 140811487) has the molecular formula C56H34N6O2Si and a molecular weight of 851.01 g/mol. Its IUPAC name is diphenyl-bis(6-pyrido[3,4-b]indol-9-yl-[1]benzofuro[2,3-c]pyridin-1-yl)silane.

Molecular Properties

• Compound Name: diphenyl-bis(6-pyrido[3,4-b]indol-9-yl-[1]benzofuro[2,3-c]pyridin-1-yl)silane
• PubChem CID: 140811487
• Molecular Formula: C56H34N6O2Si
• Molecular Weight: 851.01 g/mol
• Exact Mass: 850.25
• IUPAC Name: diphenyl-bis(6-pyrido[3,4-b]indol-9-yl-[1]benzofuro[2,3-c]pyridin-1-yl)silane
• SMILES: c1ccc([Si](c2ccccc2)(c2nccc3c2oc2ccc(-n4c5ccccc5c5ccncc54)cc23)c2nccc3c2oc2ccc(-n4c5ccccc5c5ccncc54)cc23)cc1
• InChI: InChI=1S/C56H34N6O2Si/c1-3-11-37(12-4-1)65(38-13-5-2-6-14-38,55-53-43(25-29-59-55)45-31-35(19-21-51(45)63-53)61-47-17-9-7-15-39(47)41-23-27-57-33-49(41)61)56-54-44(26-30-60-56)46-32-36(20-22-52(46)64-54)62-48-18-10-8-16-40(48)42-24-28-58-34-50(42)62/h1-34H
• InChIKey: AFDOZTUHPUCYFW-UHFFFAOYSA-N
• XLogP: 10.64
• TPSA: 87.70 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	851.01
LogP ≤ 5	10.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of diphenyl-bis(6-pyrido[3,4-b]indol-9-yl-[1]benzofuro[2,3-c]pyridin-1-yl)silane?

The IUPAC name of diphenyl-bis(6-pyrido[3,4-b]indol-9-yl-[1]benzofuro[2,3-c]pyridin-1-yl)silane (CID 140811487) is diphenyl-bis(6-pyrido[3,4-b]indol-9-yl-[1]benzofuro[2,3-c]pyridin-1-yl)silane.

What is the SMILES notation for diphenyl-bis(6-pyrido[3,4-b]indol-9-yl-[1]benzofuro[2,3-c]pyridin-1-yl)silane?

The canonical SMILES for diphenyl-bis(6-pyrido[3,4-b]indol-9-yl-[1]benzofuro[2,3-c]pyridin-1-yl)silane is c1ccc([Si](c2ccccc2)(c2nccc3c2oc2ccc(-n4c5ccccc5c5ccncc54)cc23)c2nccc3c2oc2ccc(-n4c5ccccc5c5ccncc54)cc23)cc1.

What is the InChIKey of diphenyl-bis(6-pyrido[3,4-b]indol-9-yl-[1]benzofuro[2,3-c]pyridin-1-yl)silane?

The InChIKey is AFDOZTUHPUCYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N6O2Si/c1-3-11-37(12-4-1)65(38-13-5-2-6-14-38,55-53-43(25-29-59-55)45-31-35(19-21-51(45)63-53)61-47-17-9-7-15-39(47)41-23-27-57-33-49(41)61)56-54-44(26-30-60-56)46-32-36(20-22-52(46)64-54)62-48-18-10-8-16-40(48)42-24-28-58-34-50(42)62/h1-34H.

What are the key properties of diphenyl-bis(6-pyrido[3,4-b]indol-9-yl-[1]benzofuro[2,3-c]pyridin-1-yl)silane?

diphenyl-bis(6-pyrido[3,4-b]indol-9-yl-[1]benzofuro[2,3-c]pyridin-1-yl)silane has a molecular weight of 851.01 g/mol, XLogP of 10.64, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for diphenyl-bis(6-pyrido[3,4-b]indol-9-yl-[1]benzofuro[2,3-c]pyridin-1-yl)silane is sourced from PubChem (CID 140811487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).