1,3-di(phenyl)-2H-benzimidazol-2-ide;osmium(7+);1-(phenylmethyl)-3-[[3-(phenylmethyl)-2H-benzimidazol-2-id-1-yl]methyl]-2H-benzimidazol-2-ide

C48H37N6Os — CID 140903731

About 1,3-di(phenyl)-2H-benzimidazol-2-ide;osmium(7+);1-(phenylmethyl)-3-[[3-(phenylmethyl)-2H-benzimidazol-2-id-1-yl]methyl]-2H-benzimidazol-2-ide

1,3-di(phenyl)-2H-benzimidazol-2-ide;osmium(7+);1-(phenylmethyl)-3-[[3-(phenylmethyl)-2H-benzimidazol-2-id-1-yl]methyl]-2H-benzimidazol-2-ide (PubChem CID 140903731) has the molecular formula C48H37N6Os and a molecular weight of 888.10 g/mol. Its IUPAC name is 1,3-di(phenyl)-2H-benzimidazol-2-ide;osmium(7+);1-(phenylmethyl)-3-[[3-(phenylmethyl)-2H-benzimidazol-2-id-1-yl]methyl]-2H-benzimidazol-2-ide.

Molecular Properties

• Compound Name: 1,3-di(phenyl)-2H-benzimidazol-2-ide;osmium(7+);1-(phenylmethyl)-3-[[3-(phenylmethyl)-2H-benzimidazol-2-id-1-yl]methyl]-2H-benzimidazol-2-ide
• PubChem CID: 140903731
• Molecular Formula: C48H37N6Os
• Molecular Weight: 888.10 g/mol
• Exact Mass: 889.27
• IUPAC Name: 1,3-di(phenyl)-2H-benzimidazol-2-ide;osmium(7+);1-(phenylmethyl)-3-[[3-(phenylmethyl)-2H-benzimidazol-2-id-1-yl]methyl]-2H-benzimidazol-2-ide
• SMILES: [Os+7].[c-]1ccccc1CN1[CH-]N(CN2[CH-]N(Cc3[c-]cccc3)c3ccccc32)c2ccccc21.[c-]1ccccc1N1[CH-]N(c2[c-]cccc2)c2ccccc21
• InChI: InChI=1S/C29H24N4.C19H13N2.Os/c1-3-11-24(12-4-1)19-30-21-32(28-17-9-7-15-26(28)30)23-33-22-31(20-25-13-5-2-6-14-25)27-16-8-10-18-29(27)33;1-3-9-16(10-4-1)20-15-21(17-11-5-2-6-12-17)19-14-8-7-13-18(19)20;/h1-11,13,15-18,21-22H,19-20,23H2;1-9,11,13-15H;/q-4;-3;+7
• InChIKey: HBEWJVSHIICAOT-UHFFFAOYSA-N
• XLogP: 10.53
• TPSA: 19.44 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	888.10
LogP ≤ 5	10.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,3-di(phenyl)-2H-benzimidazol-2-ide;osmium(7+);1-(phenylmethyl)-3-[[3-(phenylmethyl)-2H-benzimidazol-2-id-1-yl]methyl]-2H-benzimidazol-2-ide?

The IUPAC name of 1,3-di(phenyl)-2H-benzimidazol-2-ide;osmium(7+);1-(phenylmethyl)-3-[[3-(phenylmethyl)-2H-benzimidazol-2-id-1-yl]methyl]-2H-benzimidazol-2-ide (CID 140903731) is 1,3-di(phenyl)-2H-benzimidazol-2-ide;osmium(7+);1-(phenylmethyl)-3-[[3-(phenylmethyl)-2H-benzimidazol-2-id-1-yl]methyl]-2H-benzimidazol-2-ide.

What is the SMILES notation for 1,3-di(phenyl)-2H-benzimidazol-2-ide;osmium(7+);1-(phenylmethyl)-3-[[3-(phenylmethyl)-2H-benzimidazol-2-id-1-yl]methyl]-2H-benzimidazol-2-ide?

The canonical SMILES for 1,3-di(phenyl)-2H-benzimidazol-2-ide;osmium(7+);1-(phenylmethyl)-3-[[3-(phenylmethyl)-2H-benzimidazol-2-id-1-yl]methyl]-2H-benzimidazol-2-ide is [Os+7].[c-]1ccccc1CN1[CH-]N(CN2[CH-]N(Cc3[c-]cccc3)c3ccccc32)c2ccccc21.[c-]1ccccc1N1[CH-]N(c2[c-]cccc2)c2ccccc21.

What is the InChIKey of 1,3-di(phenyl)-2H-benzimidazol-2-ide;osmium(7+);1-(phenylmethyl)-3-[[3-(phenylmethyl)-2H-benzimidazol-2-id-1-yl]methyl]-2H-benzimidazol-2-ide?

The InChIKey is HBEWJVSHIICAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4.C19H13N2.Os/c1-3-11-24(12-4-1)19-30-21-32(28-17-9-7-15-26(28)30)23-33-22-31(20-25-13-5-2-6-14-25)27-16-8-10-18-29(27)33;1-3-9-16(10-4-1)20-15-21(17-11-5-2-6-12-17)19-14-8-7-13-18(19)20;/h1-11,13,15-18,21-22H,19-20,23H2;1-9,11,13-15H;/q-4;-3;+7.

What are the key properties of 1,3-di(phenyl)-2H-benzimidazol-2-ide;osmium(7+);1-(phenylmethyl)-3-[[3-(phenylmethyl)-2H-benzimidazol-2-id-1-yl]methyl]-2H-benzimidazol-2-ide?

1,3-di(phenyl)-2H-benzimidazol-2-ide;osmium(7+);1-(phenylmethyl)-3-[[3-(phenylmethyl)-2H-benzimidazol-2-id-1-yl]methyl]-2H-benzimidazol-2-ide has a molecular weight of 888.10 g/mol, XLogP of 10.53, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-di(phenyl)-2H-benzimidazol-2-ide;osmium(7+);1-(phenylmethyl)-3-[[3-(phenylmethyl)-2H-benzimidazol-2-id-1-yl]methyl]-2H-benzimidazol-2-ide is sourced from PubChem (CID 140903731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).