(3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-[9-(2-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-diphenylsilane

C84H58N2Si — CID 168762444

About (3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-[9-(2-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-diphenylsilane

(3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-[9-(2-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-diphenylsilane (PubChem CID 168762444) has the molecular formula C84H58N2Si and a molecular weight of 1123.49 g/mol. Its IUPAC name is (3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-[9-(2-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-diphenylsilane.

Molecular Properties

• Compound Name: (3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-[9-(2-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-diphenylsilane
• PubChem CID: 168762444
• Molecular Formula: C84H58N2Si
• Molecular Weight: 1123.49 g/mol
• Exact Mass: 1122.44
• IUPAC Name: (3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-[9-(2-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-diphenylsilane
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc([Si](c3ccccc3)(c3ccccc3)c3cc(-c4ccccc4)c(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6-c6ccccc6)ccc54)c(-c4ccccc4)c3)c2)cc1
• InChI: InChI=1S/C84H58N2Si/c1-8-28-59(29-9-1)66-52-67(60-30-10-2-11-31-60)54-70(53-66)87(68-38-18-6-19-39-68,69-40-20-7-21-41-69)71-57-75(62-34-14-4-15-35-62)84(76(58-71)63-36-16-5-17-37-63)86-81-47-27-24-44-74(81)78-56-65(49-51-83(78)86)64-48-50-82-77(55-64)73-43-23-26-46-80(73)85(82)79-45-25-22-42-72(79)61-32-12-3-13-33-61/h1-58H
• InChIKey: PMYJIDGZDZHPIX-UHFFFAOYSA-N
• XLogP: 19.26
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1123.49
LogP ≤ 5	19.26
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-(2-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-diphenylsilane?

The IUPAC name of (3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-[9-(2-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-diphenylsilane (CID 168762444) is (3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-[9-(2-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-diphenylsilane.

What is the SMILES notation for (3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-[9-(2-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-diphenylsilane?

The canonical SMILES for (3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-[9-(2-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-diphenylsilane is c1ccc(-c2cc(-c3ccccc3)cc([Si](c3ccccc3)(c3ccccc3)c3cc(-c4ccccc4)c(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6-c6ccccc6)ccc54)c(-c4ccccc4)c3)c2)cc1.

What is the InChIKey of (3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-[9-(2-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-diphenylsilane?

The InChIKey is PMYJIDGZDZHPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H58N2Si/c1-8-28-59(29-9-1)66-52-67(60-30-10-2-11-31-60)54-70(53-66)87(68-38-18-6-19-39-68,69-40-20-7-21-41-69)71-57-75(62-34-14-4-15-35-62)84(76(58-71)63-36-16-5-17-37-63)86-81-47-27-24-44-74(81)78-56-65(49-51-83(78)86)64-48-50-82-77(55-64)73-43-23-26-46-80(73)85(82)79-45-25-22-42-72(79)61-32-12-3-13-33-61/h1-58H.

What are the key properties of (3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-[9-(2-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-diphenylsilane?

(3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-[9-(2-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-diphenylsilane has a molecular weight of 1123.49 g/mol, XLogP of 19.26, 12 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-(2-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-diphenylsilane is sourced from PubChem (CID 168762444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).