triphenyl-[9-[7-phenyl-9-(3-phenylphenyl)carbazol-2-yl]carbazol-2-yl]silane

C60H42N2Si — CID 170516202

About triphenyl-[9-[7-phenyl-9-(3-phenylphenyl)carbazol-2-yl]carbazol-2-yl]silane

triphenyl-[9-[7-phenyl-9-(3-phenylphenyl)carbazol-2-yl]carbazol-2-yl]silane (PubChem CID 170516202) has the molecular formula C60H42N2Si and a molecular weight of 819.10 g/mol. Its IUPAC name is triphenyl-[9-[7-phenyl-9-(3-phenylphenyl)carbazol-2-yl]carbazol-2-yl]silane.

Molecular Properties

• Compound Name: triphenyl-[9-[7-phenyl-9-(3-phenylphenyl)carbazol-2-yl]carbazol-2-yl]silane
• PubChem CID: 170516202
• Molecular Formula: C60H42N2Si
• Molecular Weight: 819.10 g/mol
• Exact Mass: 818.31
• IUPAC Name: triphenyl-[9-[7-phenyl-9-(3-phenylphenyl)carbazol-2-yl]carbazol-2-yl]silane
• SMILES: c1ccc(-c2cccc(-n3c4cc(-c5ccccc5)ccc4c4ccc(-n5c6ccccc6c6ccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)cc65)cc43)c2)cc1
• InChI: InChI=1S/C60H42N2Si/c1-6-19-43(20-7-1)45-23-18-24-47(39-45)62-58-40-46(44-21-8-2-9-22-44)33-36-54(58)55-37-34-48(41-59(55)62)61-57-32-17-16-31-53(57)56-38-35-52(42-60(56)61)63(49-25-10-3-11-26-49,50-27-12-4-13-28-50)51-29-14-5-15-30-51/h1-42H
• InChIKey: MMZSWGPDJMGKBK-UHFFFAOYSA-N
• XLogP: 12.59
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	819.10
LogP ≤ 5	12.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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-[9-[7-phenyl-9-(3-phenylphenyl)carbazol-2-yl]carbazol-2-yl]silane?

The IUPAC name of triphenyl-[9-[7-phenyl-9-(3-phenylphenyl)carbazol-2-yl]carbazol-2-yl]silane (CID 170516202) is triphenyl-[9-[7-phenyl-9-(3-phenylphenyl)carbazol-2-yl]carbazol-2-yl]silane.

What is the SMILES notation for triphenyl-[9-[7-phenyl-9-(3-phenylphenyl)carbazol-2-yl]carbazol-2-yl]silane?

The canonical SMILES for triphenyl-[9-[7-phenyl-9-(3-phenylphenyl)carbazol-2-yl]carbazol-2-yl]silane is c1ccc(-c2cccc(-n3c4cc(-c5ccccc5)ccc4c4ccc(-n5c6ccccc6c6ccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)cc65)cc43)c2)cc1.

What is the InChIKey of triphenyl-[9-[7-phenyl-9-(3-phenylphenyl)carbazol-2-yl]carbazol-2-yl]silane?

The InChIKey is MMZSWGPDJMGKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2Si/c1-6-19-43(20-7-1)45-23-18-24-47(39-45)62-58-40-46(44-21-8-2-9-22-44)33-36-54(58)55-37-34-48(41-59(55)62)61-57-32-17-16-31-53(57)56-38-35-52(42-60(56)61)63(49-25-10-3-11-26-49,50-27-12-4-13-28-50)51-29-14-5-15-30-51/h1-42H.

What are the key properties of triphenyl-[9-[7-phenyl-9-(3-phenylphenyl)carbazol-2-yl]carbazol-2-yl]silane?

triphenyl-[9-[7-phenyl-9-(3-phenylphenyl)carbazol-2-yl]carbazol-2-yl]silane has a molecular weight of 819.10 g/mol, XLogP of 12.59, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for triphenyl-[9-[7-phenyl-9-(3-phenylphenyl)carbazol-2-yl]carbazol-2-yl]silane is sourced from PubChem (CID 170516202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).