(3-carbazol-9-ylphenyl)-[3-[3-[4-[diphenyl-(3-phenylphenyl)silyl]carbazol-9-yl]carbazol-9-yl]phenyl]-diphenylsilane

C84H59N3Si2 — CID 171458462

About (3-carbazol-9-ylphenyl)-[3-[3-[4-[diphenyl-(3-phenylphenyl)silyl]carbazol-9-yl]carbazol-9-yl]phenyl]-diphenylsilane

(3-carbazol-9-ylphenyl)-[3-[3-[4-[diphenyl-(3-phenylphenyl)silyl]carbazol-9-yl]carbazol-9-yl]phenyl]-diphenylsilane (PubChem CID 171458462) has the molecular formula C84H59N3Si2 and a molecular weight of 1166.59 g/mol. Its IUPAC name is (3-carbazol-9-ylphenyl)-[3-[3-[4-[diphenyl-(3-phenylphenyl)silyl]carbazol-9-yl]carbazol-9-yl]phenyl]-diphenylsilane.

Molecular Properties

• Compound Name: (3-carbazol-9-ylphenyl)-[3-[3-[4-[diphenyl-(3-phenylphenyl)silyl]carbazol-9-yl]carbazol-9-yl]phenyl]-diphenylsilane
• PubChem CID: 171458462
• Molecular Formula: C84H59N3Si2
• Molecular Weight: 1166.59 g/mol
• Exact Mass: 1165.42
• IUPAC Name: (3-carbazol-9-ylphenyl)-[3-[3-[4-[diphenyl-(3-phenylphenyl)silyl]carbazol-9-yl]carbazol-9-yl]phenyl]-diphenylsilane
• SMILES: c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc4c3c3ccccc3n4-c3ccc4c(c3)c3ccccc3n4-c3cccc([Si](c4ccccc4)(c4ccccc4)c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)c2)cc1
• InChI: InChI=1S/C84H59N3Si2/c1-6-28-60(29-7-1)61-30-24-41-69(56-61)89(67-37-12-4-13-38-67,68-39-14-5-15-40-68)83-53-27-52-82-84(83)75-47-19-23-51-80(75)87(82)64-54-55-81-76(59-64)74-46-18-22-50-79(74)86(81)63-32-26-43-71(58-63)88(65-33-8-2-9-34-65,66-35-10-3-11-36-66)70-42-25-31-62(57-70)85-77-48-20-16-44-72(77)73-45-17-21-49-78(73)85/h1-59H
• InChIKey: GCDNDHPQZORMIG-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)-[3-[3-[4-[diphenyl-(3-phenylphenyl)silyl]carbazol-9-yl]carbazol-9-yl]phenyl]-diphenylsilane?

The IUPAC name of (3-carbazol-9-ylphenyl)-[3-[3-[4-[diphenyl-(3-phenylphenyl)silyl]carbazol-9-yl]carbazol-9-yl]phenyl]-diphenylsilane (CID 171458462) is (3-carbazol-9-ylphenyl)-[3-[3-[4-[diphenyl-(3-phenylphenyl)silyl]carbazol-9-yl]carbazol-9-yl]phenyl]-diphenylsilane.

What is the SMILES notation for (3-carbazol-9-ylphenyl)-[3-[3-[4-[diphenyl-(3-phenylphenyl)silyl]carbazol-9-yl]carbazol-9-yl]phenyl]-diphenylsilane?

The canonical SMILES for (3-carbazol-9-ylphenyl)-[3-[3-[4-[diphenyl-(3-phenylphenyl)silyl]carbazol-9-yl]carbazol-9-yl]phenyl]-diphenylsilane is c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc4c3c3ccccc3n4-c3ccc4c(c3)c3ccccc3n4-c3cccc([Si](c4ccccc4)(c4ccccc4)c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)c2)cc1.

What is the InChIKey of (3-carbazol-9-ylphenyl)-[3-[3-[4-[diphenyl-(3-phenylphenyl)silyl]carbazol-9-yl]carbazol-9-yl]phenyl]-diphenylsilane?

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

What are the key properties of (3-carbazol-9-ylphenyl)-[3-[3-[4-[diphenyl-(3-phenylphenyl)silyl]carbazol-9-yl]carbazol-9-yl]phenyl]-diphenylsilane?

(3-carbazol-9-ylphenyl)-[3-[3-[4-[diphenyl-(3-phenylphenyl)silyl]carbazol-9-yl]carbazol-9-yl]phenyl]-diphenylsilane 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)-[3-[3-[4-[diphenyl-(3-phenylphenyl)silyl]carbazol-9-yl]carbazol-9-yl]phenyl]-diphenylsilane is sourced from PubChem (CID 171458462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).