9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-[1,3,4,6,6,7,7-heptadeuterio-5-(1,1-dideuterioethyl)-5,8,8-tris(trideuteriomethyl)naphthalen-2-yl]-6-[1,3,4,6,6,7,7-heptadeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

C69H68N4OPt-2 — CID 167379291

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-[1,3,4,6,6,7,7-heptadeuterio-5-(1,1-dideuterioethyl)-5,8,8-tris(trideuteriomethyl)naphthalen-2-yl]-6-[1,3,4,6,6,7,7-heptadeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-[1,3,4,6,6,7,7-heptadeuterio-5-(1,1-dideuterioethyl)-5,8,8-tris(trideuteriomethyl)naphthalen-2-yl]-6-[1,3,4,6,6,7,7-heptadeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 167379291) has the molecular formula C69H68N4OPt-2 and a molecular weight of 1201.63 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-[1,3,4,6,6,7,7-heptadeuterio-5-(1,1-dideuterioethyl)-5,8,8-tris(trideuteriomethyl)naphthalen-2-yl]-6-[1,3,4,6,6,7,7-heptadeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-[1,3,4,6,6,7,7-heptadeuterio-5-(1,1-dideuterioethyl)-5,8,8-tris(trideuteriomethyl)naphthalen-2-yl]-6-[1,3,4,6,6,7,7-heptadeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 167379291
• Molecular Formula: C69H68N4OPt-2
• Molecular Weight: 1201.63 g/mol
• Exact Mass: 1200.74
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-[1,3,4,6,6,7,7-heptadeuterio-5-(1,1-dideuterioethyl)-5,8,8-tris(trideuteriomethyl)naphthalen-2-yl]-6-[1,3,4,6,6,7,7-heptadeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1c([2H])c2c(c([2H])c1-c1cccc(-c3c([2H])c([2H])c4c(c3[2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])C4(C([2H])([2H])[2H])C([2H])([2H])C)c1-[n+]1[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc31)C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])C2(C([2H])([2H])[2H])C([2H])([2H])[2H].[Pt]
• InChI: InChI=1S/C69H68N4O.Pt/c1-12-69(11)37-36-68(9,10)58-40-46(28-32-56(58)69)52-23-18-22-51(45-27-31-55-57(39-45)67(7,8)35-34-66(55,5)6)64(52)72-44-71(60-25-15-16-26-61(60)72)48-19-17-20-49(42-48)74-50-29-30-54-53-21-13-14-24-59(53)73(62(54)43-50)63-41-47(33-38-70-63)65(2,3)4;/h13-33,38-41H,12,34-37H2,1-11H3;/q-2;/i5D3,6D3,7D3,8D3,9D3,10D3,11D3,12D2,27D,28D,31D,32D,34D2,35D2,36D2,37D2,39D,40D
• InChIKey: BGYONBUSUFALAC-TXZSFZPBSA-N
• XLogP: 17.31
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 15
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1201.63
LogP ≤ 5	17.31
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': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-[1,3,4,6,6,7,7-heptadeuterio-5-(1,1-dideuterioethyl)-5,8,8-tris(trideuteriomethyl)naphthalen-2-yl]-6-[1,3,4,6,6,7,7-heptadeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-[1,3,4,6,6,7,7-heptadeuterio-5-(1,1-dideuterioethyl)-5,8,8-tris(trideuteriomethyl)naphthalen-2-yl]-6-[1,3,4,6,6,7,7-heptadeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 167379291) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-[1,3,4,6,6,7,7-heptadeuterio-5-(1,1-dideuterioethyl)-5,8,8-tris(trideuteriomethyl)naphthalen-2-yl]-6-[1,3,4,6,6,7,7-heptadeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-[1,3,4,6,6,7,7-heptadeuterio-5-(1,1-dideuterioethyl)-5,8,8-tris(trideuteriomethyl)naphthalen-2-yl]-6-[1,3,4,6,6,7,7-heptadeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-[1,3,4,6,6,7,7-heptadeuterio-5-(1,1-dideuterioethyl)-5,8,8-tris(trideuteriomethyl)naphthalen-2-yl]-6-[1,3,4,6,6,7,7-heptadeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is [2H]c1c([2H])c2c(c([2H])c1-c1cccc(-c3c([2H])c([2H])c4c(c3[2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])C4(C([2H])([2H])[2H])C([2H])([2H])C)c1-[n+]1[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc31)C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])C2(C([2H])([2H])[2H])C([2H])([2H])[2H].[Pt].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-[1,3,4,6,6,7,7-heptadeuterio-5-(1,1-dideuterioethyl)-5,8,8-tris(trideuteriomethyl)naphthalen-2-yl]-6-[1,3,4,6,6,7,7-heptadeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The InChIKey is BGYONBUSUFALAC-TXZSFZPBSA-N. The full InChI is InChI=1S/C69H68N4O.Pt/c1-12-69(11)37-36-68(9,10)58-40-46(28-32-56(58)69)52-23-18-22-51(45-27-31-55-57(39-45)67(7,8)35-34-66(55,5)6)64(52)72-44-71(60-25-15-16-26-61(60)72)48-19-17-20-49(42-48)74-50-29-30-54-53-21-13-14-24-59(53)73(62(54)43-50)63-41-47(33-38-70-63)65(2,3)4;/h13-33,38-41H,12,34-37H2,1-11H3;/q-2;/i5D3,6D3,7D3,8D3,9D3,10D3,11D3,12D2,27D,28D,31D,32D,34D2,35D2,36D2,37D2,39D,40D;.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-[1,3,4,6,6,7,7-heptadeuterio-5-(1,1-dideuterioethyl)-5,8,8-tris(trideuteriomethyl)naphthalen-2-yl]-6-[1,3,4,6,6,7,7-heptadeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-[1,3,4,6,6,7,7-heptadeuterio-5-(1,1-dideuterioethyl)-5,8,8-tris(trideuteriomethyl)naphthalen-2-yl]-6-[1,3,4,6,6,7,7-heptadeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1201.63 g/mol, XLogP of 17.31, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-[1,3,4,6,6,7,7-heptadeuterio-5-(1,1-dideuterioethyl)-5,8,8-tris(trideuteriomethyl)naphthalen-2-yl]-6-[1,3,4,6,6,7,7-heptadeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 167379291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).