(3-carbazol-9-ylphenyl)-diphenyl-[3-[3-(3-phenylcarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]silane

C84H59N3Si2 — CID 171458361

About (3-carbazol-9-ylphenyl)-diphenyl-[3-[3-(3-phenylcarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]silane

(3-carbazol-9-ylphenyl)-diphenyl-[3-[3-(3-phenylcarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]silane (PubChem CID 171458361) has the molecular formula C84H59N3Si2 and a molecular weight of 1166.59 g/mol. Its IUPAC name is (3-carbazol-9-ylphenyl)-diphenyl-[3-[3-(3-phenylcarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]silane.

Molecular Properties

• Compound Name: (3-carbazol-9-ylphenyl)-diphenyl-[3-[3-(3-phenylcarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]silane
• PubChem CID: 171458361
• Molecular Formula: C84H59N3Si2
• Molecular Weight: 1166.59 g/mol
• Exact Mass: 1165.42
• IUPAC Name: (3-carbazol-9-ylphenyl)-diphenyl-[3-[3-(3-phenylcarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]silane
• SMILES: c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)c2c([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cccc2n3-c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)cc1
• InChI: InChI=1S/C84H59N3Si2/c1-7-28-60(29-8-1)61-52-54-80-75(56-61)74-46-21-24-49-79(74)86(80)64-53-55-81-76(59-64)84-82(50-27-51-83(84)89(67-36-13-4-14-37-67,68-38-15-5-16-39-68)69-40-17-6-18-41-69)87(81)63-31-26-43-71(58-63)88(65-32-9-2-10-33-65,66-34-11-3-12-35-66)70-42-25-30-62(57-70)85-77-47-22-19-44-72(77)73-45-20-23-48-78(73)85/h1-59H
• InChIKey: HJCMIUMEZDBNDI-UHFFFAOYSA-N
• XLogP: 15.40
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1166.59
LogP ≤ 5	15.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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 (3-carbazol-9-ylphenyl)-diphenyl-[3-[3-(3-phenylcarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]silane?

The IUPAC name of (3-carbazol-9-ylphenyl)-diphenyl-[3-[3-(3-phenylcarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]silane (CID 171458361) is (3-carbazol-9-ylphenyl)-diphenyl-[3-[3-(3-phenylcarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]silane.

What is the SMILES notation for (3-carbazol-9-ylphenyl)-diphenyl-[3-[3-(3-phenylcarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]silane?

The canonical SMILES for (3-carbazol-9-ylphenyl)-diphenyl-[3-[3-(3-phenylcarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]silane is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)c2c([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cccc2n3-c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)cc1.

What is the InChIKey of (3-carbazol-9-ylphenyl)-diphenyl-[3-[3-(3-phenylcarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]silane?

The InChIKey is HJCMIUMEZDBNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H59N3Si2/c1-7-28-60(29-8-1)61-52-54-80-75(56-61)74-46-21-24-49-79(74)86(80)64-53-55-81-76(59-64)84-82(50-27-51-83(84)89(67-36-13-4-14-37-67,68-38-15-5-16-39-68)69-40-17-6-18-41-69)87(81)63-31-26-43-71(58-63)88(65-32-9-2-10-33-65,66-34-11-3-12-35-66)70-42-25-30-62(57-70)85-77-47-22-19-44-72(77)73-45-20-23-48-78(73)85/h1-59H.

What are the key properties of (3-carbazol-9-ylphenyl)-diphenyl-[3-[3-(3-phenylcarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]silane?

(3-carbazol-9-ylphenyl)-diphenyl-[3-[3-(3-phenylcarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]silane has a molecular weight of 1166.59 g/mol, XLogP of 15.40, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3-carbazol-9-ylphenyl)-diphenyl-[3-[3-(3-phenylcarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]silane is sourced from PubChem (CID 171458361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).