5-[6-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-2-pyridinyl]-11-(5-phenylpyrimidin-2-yl)indolo[3,2-b]carbazole

C57H37N5Si — CID 140874483

About 5-[6-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-2-pyridinyl]-11-(5-phenylpyrimidin-2-yl)indolo[3,2-b]carbazole

5-[6-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-2-pyridinyl]-11-(5-phenylpyrimidin-2-yl)indolo[3,2-b]carbazole (PubChem CID 140874483) has the molecular formula C57H37N5Si and a molecular weight of 820.04 g/mol. Its IUPAC name is 5-[6-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-2-pyridinyl]-11-(5-phenylpyrimidin-2-yl)indolo[3,2-b]carbazole.

Molecular Properties

• Compound Name: 5-[6-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-2-pyridinyl]-11-(5-phenylpyrimidin-2-yl)indolo[3,2-b]carbazole
• PubChem CID: 140874483
• Molecular Formula: C57H37N5Si
• Molecular Weight: 820.04 g/mol
• Exact Mass: 819.28
• IUPAC Name: 5-[6-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-2-pyridinyl]-11-(5-phenylpyrimidin-2-yl)indolo[3,2-b]carbazole
• SMILES: c1ccc(-c2cnc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3cccc(-c4ccc5c(c4)-c4ccccc4[Si]5(c4ccccc4)c4ccccc4)n3)nc2)cc1
• InChI: InChI=1S/C57H37N5Si/c1-4-17-38(18-5-1)40-36-58-57(59-37-40)62-51-28-14-11-24-44(51)47-34-52-46(35-53(47)62)43-23-10-13-27-50(43)61(52)56-30-16-26-49(60-56)39-31-32-55-48(33-39)45-25-12-15-29-54(45)63(55,41-19-6-2-7-20-41)42-21-8-3-9-22-42/h1-37H
• InChIKey: WRQZOKZCSLSWPX-UHFFFAOYSA-N
• XLogP: 10.76
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	820.04
LogP ≤ 5	10.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[6-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-2-pyridinyl]-11-(5-phenylpyrimidin-2-yl)indolo[3,2-b]carbazole?

The IUPAC name of 5-[6-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-2-pyridinyl]-11-(5-phenylpyrimidin-2-yl)indolo[3,2-b]carbazole (CID 140874483) is 5-[6-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-2-pyridinyl]-11-(5-phenylpyrimidin-2-yl)indolo[3,2-b]carbazole.

What is the SMILES notation for 5-[6-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-2-pyridinyl]-11-(5-phenylpyrimidin-2-yl)indolo[3,2-b]carbazole?

The canonical SMILES for 5-[6-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-2-pyridinyl]-11-(5-phenylpyrimidin-2-yl)indolo[3,2-b]carbazole is c1ccc(-c2cnc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3cccc(-c4ccc5c(c4)-c4ccccc4[Si]5(c4ccccc4)c4ccccc4)n3)nc2)cc1.

What is the InChIKey of 5-[6-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-2-pyridinyl]-11-(5-phenylpyrimidin-2-yl)indolo[3,2-b]carbazole?

The InChIKey is WRQZOKZCSLSWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N5Si/c1-4-17-38(18-5-1)40-36-58-57(59-37-40)62-51-28-14-11-24-44(51)47-34-52-46(35-53(47)62)43-23-10-13-27-50(43)61(52)56-30-16-26-49(60-56)39-31-32-55-48(33-39)45-25-12-15-29-54(45)63(55,41-19-6-2-7-20-41)42-21-8-3-9-22-42/h1-37H.

What are the key properties of 5-[6-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-2-pyridinyl]-11-(5-phenylpyrimidin-2-yl)indolo[3,2-b]carbazole?

5-[6-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-2-pyridinyl]-11-(5-phenylpyrimidin-2-yl)indolo[3,2-b]carbazole has a molecular weight of 820.04 g/mol, XLogP of 10.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-2-pyridinyl]-11-(5-phenylpyrimidin-2-yl)indolo[3,2-b]carbazole is sourced from PubChem (CID 140874483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).