3-[5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzo[b][1]benzosilol-5-yl]-9-(3-phenylphenyl)carbazole

C75H50N4Si — CID 177132548

About 3-[5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzo[b][1]benzosilol-5-yl]-9-(3-phenylphenyl)carbazole

3-[5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzo[b][1]benzosilol-5-yl]-9-(3-phenylphenyl)carbazole (PubChem CID 177132548) has the molecular formula C75H50N4Si and a molecular weight of 1035.34 g/mol. Its IUPAC name is 3-[5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzo[b][1]benzosilol-5-yl]-9-(3-phenylphenyl)carbazole.

Molecular Properties

• Compound Name: 3-[5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzo[b][1]benzosilol-5-yl]-9-(3-phenylphenyl)carbazole
• PubChem CID: 177132548
• Molecular Formula: C75H50N4Si
• Molecular Weight: 1035.34 g/mol
• Exact Mass: 1034.38
• IUPAC Name: 3-[5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzo[b][1]benzosilol-5-yl]-9-(3-phenylphenyl)carbazole
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc([Si]5(c6ccc7c(c6)c6ccccc6n7-c6cccc(-c7ccccc7)c6)c6ccccc6-c6cc(-c7ccccc7)ccc65)cc4)n3)cc2)cc1
• InChI: InChI=1S/C75H50N4Si/c1-5-18-51(19-6-1)55-32-36-57(37-33-55)73-76-74(58-38-34-56(35-39-58)52-20-7-2-8-21-52)78-75(77-73)59-40-43-63(44-41-59)80(71-31-16-14-29-66(71)68-49-61(42-47-72(68)80)54-24-11-4-12-25-54)64-45-46-70-67(50-64)65-28-13-15-30-69(65)79(70)62-27-17-26-60(48-62)53-22-9-3-10-23-53/h1-50H
• InChIKey: LBPSFJCKIHQVEE-UHFFFAOYSA-N
• XLogP: 16.00
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1035.34
LogP ≤ 5	16.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzo[b][1]benzosilol-5-yl]-9-(3-phenylphenyl)carbazole?

The IUPAC name of 3-[5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzo[b][1]benzosilol-5-yl]-9-(3-phenylphenyl)carbazole (CID 177132548) is 3-[5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzo[b][1]benzosilol-5-yl]-9-(3-phenylphenyl)carbazole.

What is the SMILES notation for 3-[5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzo[b][1]benzosilol-5-yl]-9-(3-phenylphenyl)carbazole?

The canonical SMILES for 3-[5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzo[b][1]benzosilol-5-yl]-9-(3-phenylphenyl)carbazole is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc([Si]5(c6ccc7c(c6)c6ccccc6n7-c6cccc(-c7ccccc7)c6)c6ccccc6-c6cc(-c7ccccc7)ccc65)cc4)n3)cc2)cc1.

What is the InChIKey of 3-[5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzo[b][1]benzosilol-5-yl]-9-(3-phenylphenyl)carbazole?

The InChIKey is LBPSFJCKIHQVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H50N4Si/c1-5-18-51(19-6-1)55-32-36-57(37-33-55)73-76-74(58-38-34-56(35-39-58)52-20-7-2-8-21-52)78-75(77-73)59-40-43-63(44-41-59)80(71-31-16-14-29-66(71)68-49-61(42-47-72(68)80)54-24-11-4-12-25-54)64-45-46-70-67(50-64)65-28-13-15-30-69(65)79(70)62-27-17-26-60(48-62)53-22-9-3-10-23-53/h1-50H.

What are the key properties of 3-[5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzo[b][1]benzosilol-5-yl]-9-(3-phenylphenyl)carbazole?

3-[5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzo[b][1]benzosilol-5-yl]-9-(3-phenylphenyl)carbazole has a molecular weight of 1035.34 g/mol, XLogP of 16.00, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzo[b][1]benzosilol-5-yl]-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 177132548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).