(3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-phenyl-6-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenylsilane

C84H58N2Si — CID 168762611

About (3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-phenyl-6-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenylsilane

(3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-phenyl-6-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenylsilane (PubChem CID 168762611) 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-phenyl-6-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenylsilane.

Molecular Properties

• Compound Name: (3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-phenyl-6-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenylsilane
• PubChem CID: 168762611
• Molecular Formula: C84H58N2Si
• Molecular Weight: 1123.49 g/mol
• Exact Mass: 1122.44
• IUPAC Name: (3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-phenyl-6-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenylsilane
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc([Si](c3ccccc3)(c3ccccc3)c3cc(-c4ccccc4)c(-n4c5ccc(-c6ccccc6)cc5c5cc(-n6c7ccccc7c7cc(-c8ccccc8)ccc76)ccc54)c(-c4ccccc4)c3)c2)cc1
• InChI: InChI=1S/C84H58N2Si/c1-9-27-59(28-10-1)65-45-48-81-77(54-65)74-43-25-26-44-80(74)85(81)69-47-50-83-79(56-69)78-55-66(60-29-11-2-12-30-60)46-49-82(78)86(83)84-75(63-35-17-5-18-36-63)57-73(58-76(84)64-37-19-6-20-38-64)87(70-39-21-7-22-40-70,71-41-23-8-24-42-71)72-52-67(61-31-13-3-14-32-61)51-68(53-72)62-33-15-4-16-34-62/h1-58H
• InChIKey: HQFVCJUYIDKXNE-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-phenyl-6-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenylsilane?

The IUPAC name of (3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-phenyl-6-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenylsilane (CID 168762611) is (3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-phenyl-6-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenylsilane.

What is the SMILES notation for (3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-phenyl-6-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenylsilane?

The canonical SMILES for (3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-phenyl-6-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenylsilane is c1ccc(-c2cc(-c3ccccc3)cc([Si](c3ccccc3)(c3ccccc3)c3cc(-c4ccccc4)c(-n4c5ccc(-c6ccccc6)cc5c5cc(-n6c7ccccc7c7cc(-c8ccccc8)ccc76)ccc54)c(-c4ccccc4)c3)c2)cc1.

What is the InChIKey of (3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-phenyl-6-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenylsilane?

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

What are the key properties of (3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-phenyl-6-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenylsilane?

(3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-phenyl-6-(3-phenylcarbazol-9-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-phenyl-6-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenylsilane is sourced from PubChem (CID 168762611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).