1-[3-tert-butyl-5-[[2-[4-[3-tert-butyl-5-[3-(4-tert-butylphenyl)-2H-benzimidazol-1-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-4-yl]oxy]benzene-6-id-1-yl]-3-(4-tert-butylphenyl)-2H-benzimidazol-1-ium-2-ide;platinum

C64H60N6O2Pt2-4 — CID 165154899

About 1-[3-tert-butyl-5-[[2-[4-[3-tert-butyl-5-[3-(4-tert-butylphenyl)-2H-benzimidazol-1-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-4-yl]oxy]benzene-6-id-1-yl]-3-(4-tert-butylphenyl)-2H-benzimidazol-1-ium-2-ide;platinum

1-[3-tert-butyl-5-[[2-[4-[3-tert-butyl-5-[3-(4-tert-butylphenyl)-2H-benzimidazol-1-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-4-yl]oxy]benzene-6-id-1-yl]-3-(4-tert-butylphenyl)-2H-benzimidazol-1-ium-2-ide;platinum (PubChem CID 165154899) has the molecular formula C64H60N6O2Pt2-4 and a molecular weight of 1335.38 g/mol. Its IUPAC name is 1-[3-tert-butyl-5-[[2-[4-[3-tert-butyl-5-[3-(4-tert-butylphenyl)-2H-benzimidazol-1-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-4-yl]oxy]benzene-6-id-1-yl]-3-(4-tert-butylphenyl)-2H-benzimidazol-1-ium-2-ide;platinum.

Molecular Properties

• Compound Name: 1-[3-tert-butyl-5-[[2-[4-[3-tert-butyl-5-[3-(4-tert-butylphenyl)-2H-benzimidazol-1-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-4-yl]oxy]benzene-6-id-1-yl]-3-(4-tert-butylphenyl)-2H-benzimidazol-1-ium-2-ide;platinum
• PubChem CID: 165154899
• Molecular Formula: C64H60N6O2Pt2-4
• Molecular Weight: 1335.38 g/mol
• Exact Mass: 1334.41
• IUPAC Name: 1-[3-tert-butyl-5-[[2-[4-[3-tert-butyl-5-[3-(4-tert-butylphenyl)-2H-benzimidazol-1-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-4-yl]oxy]benzene-6-id-1-yl]-3-(4-tert-butylphenyl)-2H-benzimidazol-1-ium-2-ide;platinum
• SMILES: CC(C)(C)c1ccc(-n2[c-][n+](-c3[c-]c(Oc4[c-]c(-c5[c-]c(Oc6[c-]c(-[n+]7[c-]n(-c8ccc(C(C)(C)C)cc8)c8ccccc87)cc(C(C)(C)C)c6)ccn5)ncc4)cc(C(C)(C)C)c3)c3ccccc32)cc1.[Pt].[Pt]
• InChI: InChI=1S/C64H60N6O2.2Pt/c1-61(2,3)43-21-25-47(26-22-43)67-41-69(59-19-15-13-17-57(59)67)49-33-45(63(7,8)9)35-53(37-49)71-51-29-31-65-55(39-51)56-40-52(30-32-66-56)72-54-36-46(64(10,11)12)34-50(38-54)70-42-68(58-18-14-16-20-60(58)70)48-27-23-44(24-28-48)62(4,5)6;;/h13-36H,1-12H3;;/q-4
• InChIKey: MGDPOQDBWGTNHI-UHFFFAOYSA-N
• XLogP: 14.16
• TPSA: 61.86 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1335.38
LogP ≤ 5	14.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-tert-butyl-5-[[2-[4-[3-tert-butyl-5-[3-(4-tert-butylphenyl)-2H-benzimidazol-1-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-4-yl]oxy]benzene-6-id-1-yl]-3-(4-tert-butylphenyl)-2H-benzimidazol-1-ium-2-ide;platinum?

The IUPAC name of 1-[3-tert-butyl-5-[[2-[4-[3-tert-butyl-5-[3-(4-tert-butylphenyl)-2H-benzimidazol-1-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-4-yl]oxy]benzene-6-id-1-yl]-3-(4-tert-butylphenyl)-2H-benzimidazol-1-ium-2-ide;platinum (CID 165154899) is 1-[3-tert-butyl-5-[[2-[4-[3-tert-butyl-5-[3-(4-tert-butylphenyl)-2H-benzimidazol-1-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-4-yl]oxy]benzene-6-id-1-yl]-3-(4-tert-butylphenyl)-2H-benzimidazol-1-ium-2-ide;platinum.

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

The canonical SMILES for 1-[3-tert-butyl-5-[[2-[4-[3-tert-butyl-5-[3-(4-tert-butylphenyl)-2H-benzimidazol-1-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-4-yl]oxy]benzene-6-id-1-yl]-3-(4-tert-butylphenyl)-2H-benzimidazol-1-ium-2-ide;platinum is CC(C)(C)c1ccc(-n2[c-][n+](-c3[c-]c(Oc4[c-]c(-c5[c-]c(Oc6[c-]c(-[n+]7[c-]n(-c8ccc(C(C)(C)C)cc8)c8ccccc87)cc(C(C)(C)C)c6)ccn5)ncc4)cc(C(C)(C)C)c3)c3ccccc32)cc1.[Pt].[Pt].

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

The InChIKey is MGDPOQDBWGTNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H60N6O2.2Pt/c1-61(2,3)43-21-25-47(26-22-43)67-41-69(59-19-15-13-17-57(59)67)49-33-45(63(7,8)9)35-53(37-49)71-51-29-31-65-55(39-51)56-40-52(30-32-66-56)72-54-36-46(64(10,11)12)34-50(38-54)70-42-68(58-18-14-16-20-60(58)70)48-27-23-44(24-28-48)62(4,5)6;;/h13-36H,1-12H3;;/q-4;;.

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

1-[3-tert-butyl-5-[[2-[4-[3-tert-butyl-5-[3-(4-tert-butylphenyl)-2H-benzimidazol-1-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-4-yl]oxy]benzene-6-id-1-yl]-3-(4-tert-butylphenyl)-2H-benzimidazol-1-ium-2-ide;platinum has a molecular weight of 1335.38 g/mol, XLogP of 14.16, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-tert-butyl-5-[[2-[4-[3-tert-butyl-5-[3-(4-tert-butylphenyl)-2H-benzimidazol-1-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-4-yl]oxy]benzene-6-id-1-yl]-3-(4-tert-butylphenyl)-2H-benzimidazol-1-ium-2-ide;platinum is sourced from PubChem (CID 165154899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).