5-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole

C54H36N2Si — CID 140873038

About 5-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole

5-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole (PubChem CID 140873038) has the molecular formula C54H36N2Si and a molecular weight of 740.98 g/mol. Its IUPAC name is 5-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole.

Molecular Properties

• Compound Name: 5-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole
• PubChem CID: 140873038
• Molecular Formula: C54H36N2Si
• Molecular Weight: 740.98 g/mol
• Exact Mass: 740.26
• IUPAC Name: 5-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole
• SMILES: c1ccc(-c2ccc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccc7c(c6)[Si](c6ccccc6)(c6ccccc6)c6ccccc6-7)c5cc43)cc2)cc1
• InChI: InChI=1S/C54H36N2Si/c1-4-16-37(17-5-1)38-28-30-39(31-29-38)55-49-25-13-10-22-43(49)47-35-48-44-23-11-14-26-50(44)56(52(48)36-51(47)55)40-32-33-46-45-24-12-15-27-53(45)57(54(46)34-40,41-18-6-2-7-19-41)42-20-8-3-9-21-42/h1-36H
• InChIKey: LKXFLODBHGISBR-UHFFFAOYSA-N
• XLogP: 10.91
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	740.98
LogP ≤ 5	10.91
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-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole?

The IUPAC name of 5-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole (CID 140873038) is 5-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole.

What is the SMILES notation for 5-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole?

The canonical SMILES for 5-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccc7c(c6)[Si](c6ccccc6)(c6ccccc6)c6ccccc6-7)c5cc43)cc2)cc1.

What is the InChIKey of 5-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole?

The InChIKey is LKXFLODBHGISBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2Si/c1-4-16-37(17-5-1)38-28-30-39(31-29-38)55-49-25-13-10-22-43(49)47-35-48-44-23-11-14-26-50(44)56(52(48)36-51(47)55)40-32-33-46-45-24-12-15-27-53(45)57(54(46)34-40,41-18-6-2-7-19-41)42-20-8-3-9-21-42/h1-36H.

What are the key properties of 5-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole?

5-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole has a molecular weight of 740.98 g/mol, XLogP of 10.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole is sourced from PubChem (CID 140873038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).