carbanide;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;osmium monohydride;tri(propan-2-yl)phosphanium

C32H44N4OsP-3 — CID 161458362

About carbanide;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;osmium monohydride;tri(propan-2-yl)phosphanium

carbanide;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;osmium monohydride;tri(propan-2-yl)phosphanium (PubChem CID 161458362) has the molecular formula C32H44N4OsP-3 and a molecular weight of 705.94 g/mol. Its IUPAC name is carbanide;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;osmium monohydride;tri(propan-2-yl)phosphanium.

Molecular Properties

• Compound Name: carbanide;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;osmium monohydride;tri(propan-2-yl)phosphanium
• PubChem CID: 161458362
• Molecular Formula: C32H44N4OsP-3
• Molecular Weight: 705.94 g/mol
• Exact Mass: 707.29
• IUPAC Name: carbanide;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;osmium monohydride;tri(propan-2-yl)phosphanium
• SMILES: CC(C)[PH+](C(C)C)C(C)C.CN1[CH-]N(c2[c-]c(N3[CH-]N(C)c4ccccc43)ccc2)c2ccccc21.[CH3-].[Os]
• InChI: InChI=1S/C22H19N4.C9H21P.CH3.Os/c1-23-15-25(21-12-5-3-10-19(21)23)17-8-7-9-18(14-17)26-16-24(2)20-11-4-6-13-22(20)26;1-7(2)10(8(3)4)9(5)6;;/h3-13,15-16H,1-2H3;7-9H,1-6H3;1H3;/q-3;;-1;/p+1
• InChIKey: UETICEYMOXKYHJ-UHFFFAOYSA-O
• XLogP: 8.77
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	705.94
LogP ≤ 5	8.77
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': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;osmium monohydride;tri(propan-2-yl)phosphanium?

The IUPAC name of carbanide;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;osmium monohydride;tri(propan-2-yl)phosphanium (CID 161458362) is carbanide;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;osmium monohydride;tri(propan-2-yl)phosphanium.

What is the SMILES notation for carbanide;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;osmium monohydride;tri(propan-2-yl)phosphanium?

The canonical SMILES for carbanide;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;osmium monohydride;tri(propan-2-yl)phosphanium is CC(C)[PH+](C(C)C)C(C)C.CN1[CH-]N(c2[c-]c(N3[CH-]N(C)c4ccccc43)ccc2)c2ccccc21.[CH3-].[Os].

What is the InChIKey of carbanide;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;osmium monohydride;tri(propan-2-yl)phosphanium?

The InChIKey is UETICEYMOXKYHJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H19N4.C9H21P.CH3.Os/c1-23-15-25(21-12-5-3-10-19(21)23)17-8-7-9-18(14-17)26-16-24(2)20-11-4-6-13-22(20)26;1-7(2)10(8(3)4)9(5)6;;/h3-13,15-16H,1-2H3;7-9H,1-6H3;1H3;/q-3;;-1;/p+1.

What are the key properties of carbanide;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;osmium monohydride;tri(propan-2-yl)phosphanium?

carbanide;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;osmium monohydride;tri(propan-2-yl)phosphanium has a molecular weight of 705.94 g/mol, XLogP of 8.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;osmium monohydride;tri(propan-2-yl)phosphanium is sourced from PubChem (CID 161458362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).