3-phenyl-2-[7-(3-phenyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)-3,3'-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl]imidazo[4,5-b]pyridine

C72H45N12Si+ — CID 59866413

About 3-phenyl-2-[7-(3-phenyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)-3,3'-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl]imidazo[4,5-b]pyridine

3-phenyl-2-[7-(3-phenyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)-3,3'-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl]imidazo[4,5-b]pyridine (PubChem CID 59866413) has the molecular formula C72H45N12Si+ and a molecular weight of 1106.32 g/mol. Its IUPAC name is 3-phenyl-2-[7-(3-phenyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)-3,3'-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl]imidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 3-phenyl-2-[7-(3-phenyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)-3,3'-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl]imidazo[4,5-b]pyridine
• PubChem CID: 59866413
• Molecular Formula: C72H45N12Si+
• Molecular Weight: 1106.32 g/mol
• Exact Mass: 1105.37
• IUPAC Name: 3-phenyl-2-[7-(3-phenyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)-3,3'-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl]imidazo[4,5-b]pyridine
• SMILES: c1ccc(-n2c(-c3ccc4c(c3)[Si]3(c5cc(-c6nc7cccnc7n6-c6ccccc6)ccc5-4)c4cc(-c5nc6cccnc6n5-c5ccccc5)ccc4-c4ccc(-c5[nH]c6cccnc6[n+]5-c5ccccc5)cc43)nc3cccnc32)cc1
• InChI: InChI=1S/C72H44N12Si/c1-5-17-49(18-6-1)81-65(77-57-25-13-37-73-69(57)81)45-29-33-53-54-34-30-46(66-78-58-26-14-38-74-70(58)82(66)50-19-7-2-8-20-50)42-62(54)85(61(53)41-45)63-43-47(67-79-59-27-15-39-75-71(59)83(67)51-21-9-3-10-22-51)31-35-55(63)56-36-32-48(44-64(56)85)68-80-60-28-16-40-76-72(60)84(68)52-23-11-4-12-24-52/h1-44H/p+1
• InChIKey: GLSRBMVUXHCEFG-UHFFFAOYSA-O
• XLogP: 12.05
• TPSA: 124.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1106.32
LogP ≤ 5	12.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[7-(3-phenyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)-3,3'-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl]imidazo[4,5-b]pyridine?

The IUPAC name of 3-phenyl-2-[7-(3-phenyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)-3,3'-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl]imidazo[4,5-b]pyridine (CID 59866413) is 3-phenyl-2-[7-(3-phenyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)-3,3'-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl]imidazo[4,5-b]pyridine.

What is the SMILES notation for 3-phenyl-2-[7-(3-phenyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)-3,3'-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl]imidazo[4,5-b]pyridine?

The canonical SMILES for 3-phenyl-2-[7-(3-phenyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)-3,3'-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl]imidazo[4,5-b]pyridine is c1ccc(-n2c(-c3ccc4c(c3)[Si]3(c5cc(-c6nc7cccnc7n6-c6ccccc6)ccc5-4)c4cc(-c5nc6cccnc6n5-c5ccccc5)ccc4-c4ccc(-c5[nH]c6cccnc6[n+]5-c5ccccc5)cc43)nc3cccnc32)cc1.

What is the InChIKey of 3-phenyl-2-[7-(3-phenyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)-3,3'-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl]imidazo[4,5-b]pyridine?

The InChIKey is GLSRBMVUXHCEFG-UHFFFAOYSA-O. The full InChI is InChI=1S/C72H44N12Si/c1-5-17-49(18-6-1)81-65(77-57-25-13-37-73-69(57)81)45-29-33-53-54-34-30-46(66-78-58-26-14-38-74-70(58)82(66)50-19-7-2-8-20-50)42-62(54)85(61(53)41-45)63-43-47(67-79-59-27-15-39-75-71(59)83(67)51-21-9-3-10-22-51)31-35-55(63)56-36-32-48(44-64(56)85)68-80-60-28-16-40-76-72(60)84(68)52-23-11-4-12-24-52/h1-44H/p+1.

What are the key properties of 3-phenyl-2-[7-(3-phenyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)-3,3'-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl]imidazo[4,5-b]pyridine?

3-phenyl-2-[7-(3-phenyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)-3,3'-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl]imidazo[4,5-b]pyridine has a molecular weight of 1106.32 g/mol, XLogP of 12.05, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-phenyl-2-[7-(3-phenyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)-3,3'-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 59866413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).