(3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]-diphenylsilane

C78H54N2Si — CID 168762634

About (3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]-diphenylsilane

(3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]-diphenylsilane (PubChem CID 168762634) has the molecular formula C78H54N2Si and a molecular weight of 1047.39 g/mol. Its IUPAC name is (3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]-diphenylsilane.

Molecular Properties

• Compound Name: (3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]-diphenylsilane
• PubChem CID: 168762634
• Molecular Formula: C78H54N2Si
• Molecular Weight: 1047.39 g/mol
• Exact Mass: 1046.41
• IUPAC Name: (3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]-diphenylsilane
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc([Si](c3ccccc3)(c3ccccc3)c3cc(-c4ccccc4)c(-n4c5ccccc5c5cc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)ccc54)c(-c4ccccc4)c3)c2)cc1
• InChI: InChI=1S/C78H54N2Si/c1-8-27-55(28-9-1)60-49-61(56-29-10-2-11-30-56)51-65(50-60)81(63-37-18-6-19-38-63,64-39-20-7-21-40-64)66-53-71(57-31-12-3-13-32-57)78(72(54-66)58-33-14-4-15-34-58)80-75-46-25-23-42-69(75)73-52-59(47-48-76(73)80)67-43-26-44-70-68-41-22-24-45-74(68)79(77(67)70)62-35-16-5-17-36-62/h1-54H
• InChIKey: OODSRUNAZWEYIV-UHFFFAOYSA-N
• XLogP: 17.59
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1047.39
LogP ≤ 5	17.59
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 (3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]-diphenylsilane?

The IUPAC name of (3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]-diphenylsilane (CID 168762634) is (3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]-diphenylsilane.

What is the SMILES notation for (3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]-diphenylsilane?

The canonical SMILES for (3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]-diphenylsilane is c1ccc(-c2cc(-c3ccccc3)cc([Si](c3ccccc3)(c3ccccc3)c3cc(-c4ccccc4)c(-n4c5ccccc5c5cc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)ccc54)c(-c4ccccc4)c3)c2)cc1.

What is the InChIKey of (3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]-diphenylsilane?

The InChIKey is OODSRUNAZWEYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H54N2Si/c1-8-27-55(28-9-1)60-49-61(56-29-10-2-11-30-56)51-65(50-60)81(63-37-18-6-19-38-63,64-39-20-7-21-40-64)66-53-71(57-31-12-3-13-32-57)78(72(54-66)58-33-14-4-15-34-58)80-75-46-25-23-42-69(75)73-52-59(47-48-76(73)80)67-43-26-44-70-68-41-22-24-45-74(68)79(77(67)70)62-35-16-5-17-36-62/h1-54H.

What are the key properties of (3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]-diphenylsilane?

(3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]-diphenylsilane has a molecular weight of 1047.39 g/mol, XLogP of 17.59, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]-diphenylsilane is sourced from PubChem (CID 168762634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).