1-[3-tert-butyl-5-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-3,5,6-trimethyl-2H-benzimidazol-2-ide;platinum

C35H38N3O2Pt-3 — CID 155606635

About 1-[3-tert-butyl-5-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-3,5,6-trimethyl-2H-benzimidazol-2-ide;platinum

1-[3-tert-butyl-5-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-3,5,6-trimethyl-2H-benzimidazol-2-ide;platinum (PubChem CID 155606635) has the molecular formula C35H38N3O2Pt-3 and a molecular weight of 727.79 g/mol. Its IUPAC name is 1-[3-tert-butyl-5-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-3,5,6-trimethyl-2H-benzimidazol-2-ide;platinum.

Molecular Properties

• Compound Name: 1-[3-tert-butyl-5-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-3,5,6-trimethyl-2H-benzimidazol-2-ide;platinum
• PubChem CID: 155606635
• Molecular Formula: C35H38N3O2Pt-3
• Molecular Weight: 727.79 g/mol
• Exact Mass: 727.26
• IUPAC Name: 1-[3-tert-butyl-5-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-3,5,6-trimethyl-2H-benzimidazol-2-ide;platinum
• SMILES: Cc1cc2c(cc1C)N(c1[c-]c(Oc3[c-]c(Oc4cc(C(C)(C)C)ccn4)ccc3)cc(C(C)(C)C)c1)[CH-]N2C.[Pt]
• InChI: InChI=1S/C35H38N3O2.Pt/c1-23-15-31-32(16-24(23)2)38(22-37(31)9)27-17-26(35(6,7)8)18-30(20-27)39-28-11-10-12-29(21-28)40-33-19-25(13-14-36-33)34(3,4)5;/h10-19,22H,1-9H3;/q-3
• InChIKey: XSQVQYCQPHLTBG-UHFFFAOYSA-N
• XLogP: 9.18
• TPSA: 37.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	727.79
LogP ≤ 5	9.18
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-butyl-5-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-3,5,6-trimethyl-2H-benzimidazol-2-ide;platinum?

The IUPAC name of 1-[3-tert-butyl-5-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-3,5,6-trimethyl-2H-benzimidazol-2-ide;platinum (CID 155606635) is 1-[3-tert-butyl-5-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-3,5,6-trimethyl-2H-benzimidazol-2-ide;platinum.

What is the SMILES notation for 1-[3-tert-butyl-5-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-3,5,6-trimethyl-2H-benzimidazol-2-ide;platinum?

The canonical SMILES for 1-[3-tert-butyl-5-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-3,5,6-trimethyl-2H-benzimidazol-2-ide;platinum is Cc1cc2c(cc1C)N(c1[c-]c(Oc3[c-]c(Oc4cc(C(C)(C)C)ccn4)ccc3)cc(C(C)(C)C)c1)[CH-]N2C.[Pt].

What is the InChIKey of 1-[3-tert-butyl-5-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-3,5,6-trimethyl-2H-benzimidazol-2-ide;platinum?

The InChIKey is XSQVQYCQPHLTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N3O2.Pt/c1-23-15-31-32(16-24(23)2)38(22-37(31)9)27-17-26(35(6,7)8)18-30(20-27)39-28-11-10-12-29(21-28)40-33-19-25(13-14-36-33)34(3,4)5;/h10-19,22H,1-9H3;/q-3;.

What are the key properties of 1-[3-tert-butyl-5-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-3,5,6-trimethyl-2H-benzimidazol-2-ide;platinum?

1-[3-tert-butyl-5-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-3,5,6-trimethyl-2H-benzimidazol-2-ide;platinum has a molecular weight of 727.79 g/mol, XLogP of 9.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-tert-butyl-5-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-3,5,6-trimethyl-2H-benzimidazol-2-ide;platinum is sourced from PubChem (CID 155606635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).