11-[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole

C54H36N2Si — CID 140873106

About 11-[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole

11-[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole (PubChem CID 140873106) has the molecular formula C54H36N2Si and a molecular weight of 740.98 g/mol. Its IUPAC name is 11-[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole.

Molecular Properties

• Compound Name: 11-[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole
• PubChem CID: 140873106
• Molecular Formula: C54H36N2Si
• Molecular Weight: 740.98 g/mol
• Exact Mass: 740.26
• IUPAC Name: 11-[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole
• SMILES: c1ccc(-c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3cccc([Si]4(c5ccccc5)c5ccccc5-c5ccccc54)c3)cc2)cc1
• InChI: InChI=1S/C54H36N2Si/c1-3-16-37(17-4-1)38-30-32-39(33-31-38)55-49-26-11-7-22-43(49)47-36-52-48(35-51(47)55)44-23-8-12-27-50(44)56(52)40-18-15-21-42(34-40)57(41-19-5-2-6-20-41)53-28-13-9-24-45(53)46-25-10-14-29-54(46)57/h1-36H
• InChIKey: SYSPPPAPZFSSLP-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 11-[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole?

The IUPAC name of 11-[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole (CID 140873106) is 11-[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole.

What is the SMILES notation for 11-[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole?

The canonical SMILES for 11-[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3cccc([Si]4(c5ccccc5)c5ccccc5-c5ccccc54)c3)cc2)cc1.

What is the InChIKey of 11-[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole?

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

What are the key properties of 11-[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole?

11-[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-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 11-[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole is sourced from PubChem (CID 140873106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).