1-(3-tert-butylphenyl)-3-[3-tert-butyl-5-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxybenzene-6-id-1-yl]-2H-benzimidazol-2-ide;platinum

C38H36N3O2Pt-3 — CID 155651328

About 1-(3-tert-butylphenyl)-3-[3-tert-butyl-5-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxybenzene-6-id-1-yl]-2H-benzimidazol-2-ide;platinum

1-(3-tert-butylphenyl)-3-[3-tert-butyl-5-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxybenzene-6-id-1-yl]-2H-benzimidazol-2-ide;platinum (PubChem CID 155651328) has the molecular formula C38H36N3O2Pt-3 and a molecular weight of 761.80 g/mol. Its IUPAC name is 1-(3-tert-butylphenyl)-3-[3-tert-butyl-5-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxybenzene-6-id-1-yl]-2H-benzimidazol-2-ide;platinum.

Molecular Properties

• Compound Name: 1-(3-tert-butylphenyl)-3-[3-tert-butyl-5-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxybenzene-6-id-1-yl]-2H-benzimidazol-2-ide;platinum
• PubChem CID: 155651328
• Molecular Formula: C38H36N3O2Pt-3
• Molecular Weight: 761.80 g/mol
• Exact Mass: 761.25
• IUPAC Name: 1-(3-tert-butylphenyl)-3-[3-tert-butyl-5-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxybenzene-6-id-1-yl]-2H-benzimidazol-2-ide;platinum
• SMILES: CC(C)(C)c1cc(Oc2[c-]c(Oc3ccccn3)ccc2)[c-]c(N2[CH-]N(c3cccc(C(C)(C)C)c3)c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C38H36N3O2.Pt/c1-37(2,3)27-13-11-14-29(21-27)40-26-41(35-18-8-7-17-34(35)40)30-22-28(38(4,5)6)23-33(24-30)42-31-15-12-16-32(25-31)43-36-19-9-10-20-39-36;/h7-23,26H,1-6H3;/q-3
• InChIKey: PMKWTLXVCZNWOY-UHFFFAOYSA-N
• XLogP: 10.27
• TPSA: 37.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	761.80
LogP ≤ 5	10.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butylphenyl)-3-[3-tert-butyl-5-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxybenzene-6-id-1-yl]-2H-benzimidazol-2-ide;platinum?

The IUPAC name of 1-(3-tert-butylphenyl)-3-[3-tert-butyl-5-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxybenzene-6-id-1-yl]-2H-benzimidazol-2-ide;platinum (CID 155651328) is 1-(3-tert-butylphenyl)-3-[3-tert-butyl-5-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxybenzene-6-id-1-yl]-2H-benzimidazol-2-ide;platinum.

What is the SMILES notation for 1-(3-tert-butylphenyl)-3-[3-tert-butyl-5-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxybenzene-6-id-1-yl]-2H-benzimidazol-2-ide;platinum?

The canonical SMILES for 1-(3-tert-butylphenyl)-3-[3-tert-butyl-5-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxybenzene-6-id-1-yl]-2H-benzimidazol-2-ide;platinum is CC(C)(C)c1cc(Oc2[c-]c(Oc3ccccn3)ccc2)[c-]c(N2[CH-]N(c3cccc(C(C)(C)C)c3)c3ccccc32)c1.[Pt].

What is the InChIKey of 1-(3-tert-butylphenyl)-3-[3-tert-butyl-5-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxybenzene-6-id-1-yl]-2H-benzimidazol-2-ide;platinum?

The InChIKey is PMKWTLXVCZNWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36N3O2.Pt/c1-37(2,3)27-13-11-14-29(21-27)40-26-41(35-18-8-7-17-34(35)40)30-22-28(38(4,5)6)23-33(24-30)42-31-15-12-16-32(25-31)43-36-19-9-10-20-39-36;/h7-23,26H,1-6H3;/q-3;.

What are the key properties of 1-(3-tert-butylphenyl)-3-[3-tert-butyl-5-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxybenzene-6-id-1-yl]-2H-benzimidazol-2-ide;platinum?

1-(3-tert-butylphenyl)-3-[3-tert-butyl-5-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxybenzene-6-id-1-yl]-2H-benzimidazol-2-ide;platinum has a molecular weight of 761.80 g/mol, XLogP of 10.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-tert-butylphenyl)-3-[3-tert-butyl-5-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxybenzene-6-id-1-yl]-2H-benzimidazol-2-ide;platinum is sourced from PubChem (CID 155651328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).