benzimidazolo[1,2-a]benzimidazol-6-ide;[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-c]pyridin-3-ium-2-id-6-yl]-triphenylsilane;gold

C61H59AuN6Si- — CID 169045486

About benzimidazolo[1,2-a]benzimidazol-6-ide;[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-c]pyridin-3-ium-2-id-6-yl]-triphenylsilane;gold

benzimidazolo[1,2-a]benzimidazol-6-ide;[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-c]pyridin-3-ium-2-id-6-yl]-triphenylsilane;gold (PubChem CID 169045486) has the molecular formula C61H59AuN6Si- and a molecular weight of 1101.24 g/mol. Its IUPAC name is benzimidazolo[1,2-a]benzimidazol-6-ide;[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-c]pyridin-3-ium-2-id-6-yl]-triphenylsilane;gold.

Molecular Properties

• Compound Name: benzimidazolo[1,2-a]benzimidazol-6-ide;[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-c]pyridin-3-ium-2-id-6-yl]-triphenylsilane;gold
• PubChem CID: 169045486
• Molecular Formula: C61H59AuN6Si-
• Molecular Weight: 1101.24 g/mol
• Exact Mass: 1100.42
• IUPAC Name: benzimidazolo[1,2-a]benzimidazol-6-ide;[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-c]pyridin-3-ium-2-id-6-yl]-triphenylsilane;gold
• SMILES: CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)c2cnc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc21.[Au].c1ccc2c(c1)nc1[n-]c3ccccc3n12
• InChI: InChI=1S/C48H51N3Si.C13H8N3.Au/c1-33(2)40-26-18-27-41(34(3)4)47(40)50-32-51(48-42(35(5)6)28-19-29-43(48)36(7)8)45-31-49-46(30-44(45)50)52(37-20-12-9-13-21-37,38-22-14-10-15-23-38)39-24-16-11-17-25-39;1-3-7-11-9(5-1)14-13-15-10-6-2-4-8-12(10)16(11)13;/h9-31,33-36H,1-8H3;1-8H;/q;-1
• InChIKey: KQXRREDYEOZSDA-UHFFFAOYSA-N
• XLogP: 11.57
• TPSA: 53.10 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1101.24
LogP ≤ 5	11.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzimidazolo[1,2-a]benzimidazol-6-ide;[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-c]pyridin-3-ium-2-id-6-yl]-triphenylsilane;gold?

The IUPAC name of benzimidazolo[1,2-a]benzimidazol-6-ide;[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-c]pyridin-3-ium-2-id-6-yl]-triphenylsilane;gold (CID 169045486) is benzimidazolo[1,2-a]benzimidazol-6-ide;[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-c]pyridin-3-ium-2-id-6-yl]-triphenylsilane;gold.

What is the SMILES notation for benzimidazolo[1,2-a]benzimidazol-6-ide;[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-c]pyridin-3-ium-2-id-6-yl]-triphenylsilane;gold?

The canonical SMILES for benzimidazolo[1,2-a]benzimidazol-6-ide;[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-c]pyridin-3-ium-2-id-6-yl]-triphenylsilane;gold is CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)c2cnc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc21.[Au].c1ccc2c(c1)nc1[n-]c3ccccc3n12.

What is the InChIKey of benzimidazolo[1,2-a]benzimidazol-6-ide;[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-c]pyridin-3-ium-2-id-6-yl]-triphenylsilane;gold?

The InChIKey is KQXRREDYEOZSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H51N3Si.C13H8N3.Au/c1-33(2)40-26-18-27-41(34(3)4)47(40)50-32-51(48-42(35(5)6)28-19-29-43(48)36(7)8)45-31-49-46(30-44(45)50)52(37-20-12-9-13-21-37,38-22-14-10-15-23-38)39-24-16-11-17-25-39;1-3-7-11-9(5-1)14-13-15-10-6-2-4-8-12(10)16(11)13;/h9-31,33-36H,1-8H3;1-8H;/q;-1;.

What are the key properties of benzimidazolo[1,2-a]benzimidazol-6-ide;[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-c]pyridin-3-ium-2-id-6-yl]-triphenylsilane;gold?

benzimidazolo[1,2-a]benzimidazol-6-ide;[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-c]pyridin-3-ium-2-id-6-yl]-triphenylsilane;gold has a molecular weight of 1101.24 g/mol, XLogP of 11.57, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for benzimidazolo[1,2-a]benzimidazol-6-ide;[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-c]pyridin-3-ium-2-id-6-yl]-triphenylsilane;gold is sourced from PubChem (CID 169045486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).