triphenyl-[3-[3-(4-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]silane

C59H40N4Si — CID 166588890

About triphenyl-[3-[3-(4-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]silane

triphenyl-[3-[3-(4-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]silane (PubChem CID 166588890) has the molecular formula C59H40N4Si and a molecular weight of 833.08 g/mol. Its IUPAC name is triphenyl-[3-[3-(4-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]silane.

Molecular Properties

• Compound Name: triphenyl-[3-[3-(4-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]silane
• PubChem CID: 166588890
• Molecular Formula: C59H40N4Si
• Molecular Weight: 833.08 g/mol
• Exact Mass: 832.30
• IUPAC Name: triphenyl-[3-[3-(4-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]silane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6c(-n7c8ccccc8c8ccncc87)cccc65)ccc43)c2)cc1
• InChI: InChI=1S/C59H40N4Si/c1-4-19-43(20-5-1)64(44-21-6-2-7-22-44,45-23-8-3-9-24-45)46-25-16-18-41(38-46)61-52-29-13-11-27-48(52)51-39-42(34-35-55(51)61)62-54-31-15-12-28-50(54)59-56(62)32-17-33-57(59)63-53-30-14-10-26-47(53)49-36-37-60-40-58(49)63/h1-40H
• InChIKey: QMZDSNJQCUBODY-UHFFFAOYSA-N
• XLogP: 11.75
• TPSA: 27.68 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	833.08
LogP ≤ 5	11.75
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 triphenyl-[3-[3-(4-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]silane?

The IUPAC name of triphenyl-[3-[3-(4-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]silane (CID 166588890) is triphenyl-[3-[3-(4-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]silane.

What is the SMILES notation for triphenyl-[3-[3-(4-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]silane?

The canonical SMILES for triphenyl-[3-[3-(4-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]silane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6c(-n7c8ccccc8c8ccncc87)cccc65)ccc43)c2)cc1.

What is the InChIKey of triphenyl-[3-[3-(4-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]silane?

The InChIKey is QMZDSNJQCUBODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40N4Si/c1-4-19-43(20-5-1)64(44-21-6-2-7-22-44,45-23-8-3-9-24-45)46-25-16-18-41(38-46)61-52-29-13-11-27-48(52)51-39-42(34-35-55(51)61)62-54-31-15-12-28-50(54)59-56(62)32-17-33-57(59)63-53-30-14-10-26-47(53)49-36-37-60-40-58(49)63/h1-40H.

What are the key properties of triphenyl-[3-[3-(4-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]silane?

triphenyl-[3-[3-(4-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]silane has a molecular weight of 833.08 g/mol, XLogP of 11.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for triphenyl-[3-[3-(4-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]silane is sourced from PubChem (CID 166588890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).