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

C60H42N2Si — CID 147032702

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

triphenyl-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]silane (PubChem CID 147032702) has the molecular formula C60H42N2Si and a molecular weight of 819.10 g/mol. Its IUPAC name is triphenyl-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]silane.

Molecular Properties

• Compound Name: triphenyl-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]silane
• PubChem CID: 147032702
• Molecular Formula: C60H42N2Si
• Molecular Weight: 819.10 g/mol
• Exact Mass: 818.31
• IUPAC Name: triphenyl-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]silane
• SMILES: c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)ccc43)cc2)cc1
• InChI: InChI=1S/C60H42N2Si/c1-5-18-43(19-6-1)44-32-36-47(37-33-44)61-57-30-15-13-28-53(57)55-40-45(34-38-59(55)61)46-35-39-60-56(41-46)54-29-14-16-31-58(54)62(60)48-20-17-27-52(42-48)63(49-21-7-2-8-22-49,50-23-9-3-10-24-50)51-25-11-4-12-26-51/h1-42H
• InChIKey: AXXHMFLYGQDHRV-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-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]silane?

The IUPAC name of triphenyl-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]silane (CID 147032702) is triphenyl-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]silane.

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

The canonical SMILES for triphenyl-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]silane is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)ccc43)cc2)cc1.

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

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

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

triphenyl-[3-[3-[9-(4-phenylphenyl)carbazol-3-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-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]silane is sourced from PubChem (CID 147032702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).