silver;1,3-bis(2,4,6-trimethylphenyl)-2H-benzo[f]benzimidazol-2-ide-4,9-dione;methane

C30H31AgN2O2 — CID 160615456

About silver;1,3-bis(2,4,6-trimethylphenyl)-2H-benzo[f]benzimidazol-2-ide-4,9-dione;methane

silver;1,3-bis(2,4,6-trimethylphenyl)-2H-benzo[f]benzimidazol-2-ide-4,9-dione;methane (PubChem CID 160615456) has the molecular formula C30H31AgN2O2 and a molecular weight of 559.46 g/mol. Its IUPAC name is silver;1,3-bis(2,4,6-trimethylphenyl)-2H-benzo[f]benzimidazol-2-ide-4,9-dione;methane.

Molecular Properties

• Compound Name: silver;1,3-bis(2,4,6-trimethylphenyl)-2H-benzo[f]benzimidazol-2-ide-4,9-dione;methane
• PubChem CID: 160615456
• Molecular Formula: C30H31AgN2O2
• Molecular Weight: 559.46 g/mol
• Exact Mass: 558.14
• IUPAC Name: silver;1,3-bis(2,4,6-trimethylphenyl)-2H-benzo[f]benzimidazol-2-ide-4,9-dione;methane
• SMILES: C.Cc1cc(C)c(-n2[cH-]n(-c3c(C)cc(C)cc3C)c3c(=O)c4ccccc4c(=O)c2=3)c(C)c1.[Ag+]
• InChI: InChI=1S/C29H27N2O2.CH4.Ag/c1-16-11-18(3)24(19(4)12-16)30-15-31(25-20(5)13-17(2)14-21(25)6)27-26(30)28(32)22-9-7-8-10-23(22)29(27)33;;/h7-15H,1-6H3;1H4;/q-1;;+1
• InChIKey: PVWWNVISOHHQML-UHFFFAOYSA-N
• XLogP: 6.07
• TPSA: 44.00 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.46
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of silver;1,3-bis(2,4,6-trimethylphenyl)-2H-benzo[f]benzimidazol-2-ide-4,9-dione;methane?

The IUPAC name of silver;1,3-bis(2,4,6-trimethylphenyl)-2H-benzo[f]benzimidazol-2-ide-4,9-dione;methane (CID 160615456) is silver;1,3-bis(2,4,6-trimethylphenyl)-2H-benzo[f]benzimidazol-2-ide-4,9-dione;methane.

What is the SMILES notation for silver;1,3-bis(2,4,6-trimethylphenyl)-2H-benzo[f]benzimidazol-2-ide-4,9-dione;methane?

The canonical SMILES for silver;1,3-bis(2,4,6-trimethylphenyl)-2H-benzo[f]benzimidazol-2-ide-4,9-dione;methane is C.Cc1cc(C)c(-n2[cH-]n(-c3c(C)cc(C)cc3C)c3c(=O)c4ccccc4c(=O)c2=3)c(C)c1.[Ag+].

What is the InChIKey of silver;1,3-bis(2,4,6-trimethylphenyl)-2H-benzo[f]benzimidazol-2-ide-4,9-dione;methane?

The InChIKey is PVWWNVISOHHQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N2O2.CH4.Ag/c1-16-11-18(3)24(19(4)12-16)30-15-31(25-20(5)13-17(2)14-21(25)6)27-26(30)28(32)22-9-7-8-10-23(22)29(27)33;;/h7-15H,1-6H3;1H4;/q-1;;+1.

What are the key properties of silver;1,3-bis(2,4,6-trimethylphenyl)-2H-benzo[f]benzimidazol-2-ide-4,9-dione;methane?

silver;1,3-bis(2,4,6-trimethylphenyl)-2H-benzo[f]benzimidazol-2-ide-4,9-dione;methane has a molecular weight of 559.46 g/mol, XLogP of 6.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for silver;1,3-bis(2,4,6-trimethylphenyl)-2H-benzo[f]benzimidazol-2-ide-4,9-dione;methane is sourced from PubChem (CID 160615456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).