5,5-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-trimethylsilylphenyl)phenyl]benzo[b][1]benzosilol-2-amine

C63H50N2Si2 — CID 90195239

About 5,5-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-trimethylsilylphenyl)phenyl]benzo[b][1]benzosilol-2-amine

5,5-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-trimethylsilylphenyl)phenyl]benzo[b][1]benzosilol-2-amine (PubChem CID 90195239) has the molecular formula C63H50N2Si2 and a molecular weight of 891.28 g/mol. Its IUPAC name is 5,5-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-trimethylsilylphenyl)phenyl]benzo[b][1]benzosilol-2-amine.

Molecular Properties

• Compound Name: 5,5-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-trimethylsilylphenyl)phenyl]benzo[b][1]benzosilol-2-amine
• PubChem CID: 90195239
• Molecular Formula: C63H50N2Si2
• Molecular Weight: 891.28 g/mol
• Exact Mass: 890.35
• IUPAC Name: 5,5-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-trimethylsilylphenyl)phenyl]benzo[b][1]benzosilol-2-amine
• SMILES: C[Si](C)(C)c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc4c(c3)-c3ccccc3[Si]4(c3ccccc3)c3ccccc3)cc2)cc1
• InChI: InChI=1S/C63H50N2Si2/c1-66(2,3)53-39-31-46(32-40-53)45-27-34-50(35-28-45)64(51-36-29-47(30-37-51)48-33-41-61-58(43-48)56-23-13-15-25-60(56)65(61)49-17-7-4-8-18-49)52-38-42-63-59(44-52)57-24-14-16-26-62(57)67(63,54-19-9-5-10-20-54)55-21-11-6-12-22-55/h4-44H,1-3H3
• InChIKey: SUUHWYVCIHHYHQ-UHFFFAOYSA-N
• XLogP: 13.49
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	891.28
LogP ≤ 5	13.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5,5-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-trimethylsilylphenyl)phenyl]benzo[b][1]benzosilol-2-amine?

The IUPAC name of 5,5-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-trimethylsilylphenyl)phenyl]benzo[b][1]benzosilol-2-amine (CID 90195239) is 5,5-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-trimethylsilylphenyl)phenyl]benzo[b][1]benzosilol-2-amine.

What is the SMILES notation for 5,5-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-trimethylsilylphenyl)phenyl]benzo[b][1]benzosilol-2-amine?

The canonical SMILES for 5,5-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-trimethylsilylphenyl)phenyl]benzo[b][1]benzosilol-2-amine is C[Si](C)(C)c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc4c(c3)-c3ccccc3[Si]4(c3ccccc3)c3ccccc3)cc2)cc1.

What is the InChIKey of 5,5-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-trimethylsilylphenyl)phenyl]benzo[b][1]benzosilol-2-amine?

The InChIKey is SUUHWYVCIHHYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H50N2Si2/c1-66(2,3)53-39-31-46(32-40-53)45-27-34-50(35-28-45)64(51-36-29-47(30-37-51)48-33-41-61-58(43-48)56-23-13-15-25-60(56)65(61)49-17-7-4-8-18-49)52-38-42-63-59(44-52)57-24-14-16-26-62(57)67(63,54-19-9-5-10-20-54)55-21-11-6-12-22-55/h4-44H,1-3H3.

What are the key properties of 5,5-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-trimethylsilylphenyl)phenyl]benzo[b][1]benzosilol-2-amine?

5,5-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-trimethylsilylphenyl)phenyl]benzo[b][1]benzosilol-2-amine has a molecular weight of 891.28 g/mol, XLogP of 13.49, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-trimethylsilylphenyl)phenyl]benzo[b][1]benzosilol-2-amine is sourced from PubChem (CID 90195239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).