triphenyl-[4-[3-[4-(3-phenylphenyl)carbazol-9-yl]carbazol-9-yl]phenyl]silane

C60H42N2Si — CID 171458089

About triphenyl-[4-[3-[4-(3-phenylphenyl)carbazol-9-yl]carbazol-9-yl]phenyl]silane

triphenyl-[4-[3-[4-(3-phenylphenyl)carbazol-9-yl]carbazol-9-yl]phenyl]silane (PubChem CID 171458089) has the molecular formula C60H42N2Si and a molecular weight of 819.10 g/mol. Its IUPAC name is triphenyl-[4-[3-[4-(3-phenylphenyl)carbazol-9-yl]carbazol-9-yl]phenyl]silane.

Molecular Properties

• Compound Name: triphenyl-[4-[3-[4-(3-phenylphenyl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
• PubChem CID: 171458089
• Molecular Formula: C60H42N2Si
• Molecular Weight: 819.10 g/mol
• Exact Mass: 818.31
• IUPAC Name: triphenyl-[4-[3-[4-(3-phenylphenyl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
• SMILES: c1ccc(-c2cccc(-c3cccc4c3c3ccccc3n4-c3ccc4c(c3)c3ccccc3n4-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c2)cc1
• InChI: InChI=1S/C60H42N2Si/c1-5-19-43(20-6-1)44-21-17-22-45(41-44)52-31-18-34-59-60(52)54-30-14-16-33-57(54)62(59)47-37-40-58-55(42-47)53-29-13-15-32-56(53)61(58)46-35-38-51(39-36-46)63(48-23-7-2-8-24-48,49-25-9-3-10-26-49)50-27-11-4-12-28-50/h1-42H
• InChIKey: FAMMUGZBUWCFRS-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-[4-[3-[4-(3-phenylphenyl)carbazol-9-yl]carbazol-9-yl]phenyl]silane?

The IUPAC name of triphenyl-[4-[3-[4-(3-phenylphenyl)carbazol-9-yl]carbazol-9-yl]phenyl]silane (CID 171458089) is triphenyl-[4-[3-[4-(3-phenylphenyl)carbazol-9-yl]carbazol-9-yl]phenyl]silane.

What is the SMILES notation for triphenyl-[4-[3-[4-(3-phenylphenyl)carbazol-9-yl]carbazol-9-yl]phenyl]silane?

The canonical SMILES for triphenyl-[4-[3-[4-(3-phenylphenyl)carbazol-9-yl]carbazol-9-yl]phenyl]silane is c1ccc(-c2cccc(-c3cccc4c3c3ccccc3n4-c3ccc4c(c3)c3ccccc3n4-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c2)cc1.

What is the InChIKey of triphenyl-[4-[3-[4-(3-phenylphenyl)carbazol-9-yl]carbazol-9-yl]phenyl]silane?

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

What are the key properties of triphenyl-[4-[3-[4-(3-phenylphenyl)carbazol-9-yl]carbazol-9-yl]phenyl]silane?

triphenyl-[4-[3-[4-(3-phenylphenyl)carbazol-9-yl]carbazol-9-yl]phenyl]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-[4-[3-[4-(3-phenylphenyl)carbazol-9-yl]carbazol-9-yl]phenyl]silane is sourced from PubChem (CID 171458089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).