diphenyl-bis[3-(8-triphenylsilylpyrido[3,2-b]indol-5-yl)phenyl]silane

C82H60N4Si3 — CID 90193795

About diphenyl-bis[3-(8-triphenylsilylpyrido[3,2-b]indol-5-yl)phenyl]silane

diphenyl-bis[3-(8-triphenylsilylpyrido[3,2-b]indol-5-yl)phenyl]silane (PubChem CID 90193795) has the molecular formula C82H60N4Si3 and a molecular weight of 1185.67 g/mol. Its IUPAC name is diphenyl-bis[3-(8-triphenylsilylpyrido[3,2-b]indol-5-yl)phenyl]silane.

Molecular Properties

• Compound Name: diphenyl-bis[3-(8-triphenylsilylpyrido[3,2-b]indol-5-yl)phenyl]silane
• PubChem CID: 90193795
• Molecular Formula: C82H60N4Si3
• Molecular Weight: 1185.67 g/mol
• Exact Mass: 1184.41
• IUPAC Name: diphenyl-bis[3-(8-triphenylsilylpyrido[3,2-b]indol-5-yl)phenyl]silane
• SMILES: c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4c4ncccc43)c2)c2cccc(-n3c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4c4ncccc43)c2)cc1
• InChI: InChI=1S/C82H60N4Si3/c1-9-31-63(32-10-1)87(64-33-11-2-12-34-64,65-35-13-3-14-36-65)73-51-53-77-75(59-73)81-79(49-27-55-83-81)85(77)61-29-25-47-71(57-61)89(69-43-21-7-22-44-69,70-45-23-8-24-46-70)72-48-26-30-62(58-72)86-78-54-52-74(60-76(78)82-80(86)50-28-56-84-82)88(66-37-15-4-16-38-66,67-39-17-5-18-40-67)68-41-19-6-20-42-68/h1-60H
• InChIKey: YTDMARZANIHDIA-UHFFFAOYSA-N
• XLogP: 10.80
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1185.67
LogP ≤ 5	10.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of diphenyl-bis[3-(8-triphenylsilylpyrido[3,2-b]indol-5-yl)phenyl]silane?

The IUPAC name of diphenyl-bis[3-(8-triphenylsilylpyrido[3,2-b]indol-5-yl)phenyl]silane (CID 90193795) is diphenyl-bis[3-(8-triphenylsilylpyrido[3,2-b]indol-5-yl)phenyl]silane.

What is the SMILES notation for diphenyl-bis[3-(8-triphenylsilylpyrido[3,2-b]indol-5-yl)phenyl]silane?

The canonical SMILES for diphenyl-bis[3-(8-triphenylsilylpyrido[3,2-b]indol-5-yl)phenyl]silane is c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4c4ncccc43)c2)c2cccc(-n3c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4c4ncccc43)c2)cc1.

What is the InChIKey of diphenyl-bis[3-(8-triphenylsilylpyrido[3,2-b]indol-5-yl)phenyl]silane?

The InChIKey is YTDMARZANIHDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H60N4Si3/c1-9-31-63(32-10-1)87(64-33-11-2-12-34-64,65-35-13-3-14-36-65)73-51-53-77-75(59-73)81-79(49-27-55-83-81)85(77)61-29-25-47-71(57-61)89(69-43-21-7-22-44-69,70-45-23-8-24-46-70)72-48-26-30-62(58-72)86-78-54-52-74(60-76(78)82-80(86)50-28-56-84-82)88(66-37-15-4-16-38-66,67-39-17-5-18-40-67)68-41-19-6-20-42-68/h1-60H.

What are the key properties of diphenyl-bis[3-(8-triphenylsilylpyrido[3,2-b]indol-5-yl)phenyl]silane?

diphenyl-bis[3-(8-triphenylsilylpyrido[3,2-b]indol-5-yl)phenyl]silane has a molecular weight of 1185.67 g/mol, XLogP of 10.80, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for diphenyl-bis[3-(8-triphenylsilylpyrido[3,2-b]indol-5-yl)phenyl]silane is sourced from PubChem (CID 90193795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).