[3-[3-carbazol-9-yl-5-[2-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-phenyl-bis(3-phenylphenyl)silane

C84H57N3Si — CID 176784997

About [3-[3-carbazol-9-yl-5-[2-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-phenyl-bis(3-phenylphenyl)silane

[3-[3-carbazol-9-yl-5-[2-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-phenyl-bis(3-phenylphenyl)silane (PubChem CID 176784997) has the molecular formula C84H57N3Si and a molecular weight of 1136.49 g/mol. Its IUPAC name is [3-[3-carbazol-9-yl-5-[2-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-phenyl-bis(3-phenylphenyl)silane.

Molecular Properties

• Compound Name: [3-[3-carbazol-9-yl-5-[2-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-phenyl-bis(3-phenylphenyl)silane
• PubChem CID: 176784997
• Molecular Formula: C84H57N3Si
• Molecular Weight: 1136.49 g/mol
• Exact Mass: 1135.43
• IUPAC Name: [3-[3-carbazol-9-yl-5-[2-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-phenyl-bis(3-phenylphenyl)silane
• SMILES: c1ccc(-c2cccc([Si](c3ccccc3)(c3cccc(-c4ccccc4)c3)c3cccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccc(-n7c8ccccc8c8cc(-c9ccccc9)ccc87)cc65)c4)c3)c2)cc1
• InChI: InChI=1S/C84H57N3Si/c1-5-24-58(25-6-1)61-30-21-35-70(52-61)88(69-33-11-4-12-34-69,71-36-22-31-62(53-71)59-26-7-2-8-27-59)72-37-23-32-63(54-72)65-50-67(86-79-42-17-13-38-73(79)74-39-14-18-43-80(74)86)56-68(51-65)87-81-44-19-15-40-75(81)77-48-47-66(57-84(77)87)85-82-45-20-16-41-76(82)78-55-64(46-49-83(78)85)60-28-9-3-10-29-60/h1-57H
• InChIKey: PYVMHSCKASUBQV-UHFFFAOYSA-N
• XLogP: 19.02
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1136.49
LogP ≤ 5	19.02
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-[3-carbazol-9-yl-5-[2-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-phenyl-bis(3-phenylphenyl)silane?

The IUPAC name of [3-[3-carbazol-9-yl-5-[2-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-phenyl-bis(3-phenylphenyl)silane (CID 176784997) is [3-[3-carbazol-9-yl-5-[2-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-phenyl-bis(3-phenylphenyl)silane.

What is the SMILES notation for [3-[3-carbazol-9-yl-5-[2-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-phenyl-bis(3-phenylphenyl)silane?

The canonical SMILES for [3-[3-carbazol-9-yl-5-[2-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-phenyl-bis(3-phenylphenyl)silane is c1ccc(-c2cccc([Si](c3ccccc3)(c3cccc(-c4ccccc4)c3)c3cccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccc(-n7c8ccccc8c8cc(-c9ccccc9)ccc87)cc65)c4)c3)c2)cc1.

What is the InChIKey of [3-[3-carbazol-9-yl-5-[2-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-phenyl-bis(3-phenylphenyl)silane?

The InChIKey is PYVMHSCKASUBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H57N3Si/c1-5-24-58(25-6-1)61-30-21-35-70(52-61)88(69-33-11-4-12-34-69,71-36-22-31-62(53-71)59-26-7-2-8-27-59)72-37-23-32-63(54-72)65-50-67(86-79-42-17-13-38-73(79)74-39-14-18-43-80(74)86)56-68(51-65)87-81-44-19-15-40-75(81)77-48-47-66(57-84(77)87)85-82-45-20-16-41-76(82)78-55-64(46-49-83(78)85)60-28-9-3-10-29-60/h1-57H.

What are the key properties of [3-[3-carbazol-9-yl-5-[2-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-phenyl-bis(3-phenylphenyl)silane?

[3-[3-carbazol-9-yl-5-[2-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-phenyl-bis(3-phenylphenyl)silane has a molecular weight of 1136.49 g/mol, XLogP of 19.02, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[3-carbazol-9-yl-5-[2-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-phenyl-bis(3-phenylphenyl)silane is sourced from PubChem (CID 176784997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).