9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3-tert-butyl-2,4,5,6-tetradeuteriophenyl)-4-(1,1-dideuterio-2-methylpropyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,8-trideuterio-7-methyl-1H-carbazol-1-ide;platinum

C69H71N4OPt-3 — CID 177276162

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3-tert-butyl-2,4,5,6-tetradeuteriophenyl)-4-(1,1-dideuterio-2-methylpropyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,8-trideuterio-7-methyl-1H-carbazol-1-ide;platinum

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3-tert-butyl-2,4,5,6-tetradeuteriophenyl)-4-(1,1-dideuterio-2-methylpropyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,8-trideuterio-7-methyl-1H-carbazol-1-ide;platinum (PubChem CID 177276162) has the molecular formula C69H71N4OPt-3 and a molecular weight of 1176.49 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3-tert-butyl-2,4,5,6-tetradeuteriophenyl)-4-(1,1-dideuterio-2-methylpropyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,8-trideuterio-7-methyl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3-tert-butyl-2,4,5,6-tetradeuteriophenyl)-4-(1,1-dideuterio-2-methylpropyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,8-trideuterio-7-methyl-1H-carbazol-1-ide;platinum
• PubChem CID: 177276162
• Molecular Formula: C69H71N4OPt-3
• Molecular Weight: 1176.49 g/mol
• Exact Mass: 1175.59
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3-tert-butyl-2,4,5,6-tetradeuteriophenyl)-4-(1,1-dideuterio-2-methylpropyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,8-trideuterio-7-methyl-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1c([2H])c(-c2cc(C([2H])([2H])C(C)C)cc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4c([2H])c([2H])c(C)c([2H])c4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)c([2H])c(C(C)(C)C)c1[2H].[Pt]
• InChI: InChI=1S/C69H71N4O.Pt/c1-44(2)34-46-36-56(47-18-16-19-49(38-47)66(4,5)6)65(57(37-46)48-25-29-58-59(39-48)69(12,13)32-31-68(58,10)11)72-43-71(60-22-14-15-23-61(60)72)51-20-17-21-52(41-51)74-53-26-28-55-54-27-24-45(3)35-62(54)73(63(55)42-53)64-40-50(30-33-70-64)67(7,8)9;/h14-30,33,35-40,43-44H,31-32,34H2,1-13H3;/q-3;/i16D,18D,19D,24D,27D,34D2,35D,38D
• InChIKey: ASGHGDXXJOMJMK-KAROYRPWSA-N
• XLogP: 18.76
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1176.49
LogP ≤ 5	18.76
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 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3-tert-butyl-2,4,5,6-tetradeuteriophenyl)-4-(1,1-dideuterio-2-methylpropyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,8-trideuterio-7-methyl-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3-tert-butyl-2,4,5,6-tetradeuteriophenyl)-4-(1,1-dideuterio-2-methylpropyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,8-trideuterio-7-methyl-1H-carbazol-1-ide;platinum (CID 177276162) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3-tert-butyl-2,4,5,6-tetradeuteriophenyl)-4-(1,1-dideuterio-2-methylpropyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,8-trideuterio-7-methyl-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3-tert-butyl-2,4,5,6-tetradeuteriophenyl)-4-(1,1-dideuterio-2-methylpropyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,8-trideuterio-7-methyl-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3-tert-butyl-2,4,5,6-tetradeuteriophenyl)-4-(1,1-dideuterio-2-methylpropyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,8-trideuterio-7-methyl-1H-carbazol-1-ide;platinum is [2H]c1c([2H])c(-c2cc(C([2H])([2H])C(C)C)cc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4c([2H])c([2H])c(C)c([2H])c4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)c([2H])c(C(C)(C)C)c1[2H].[Pt].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3-tert-butyl-2,4,5,6-tetradeuteriophenyl)-4-(1,1-dideuterio-2-methylpropyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,8-trideuterio-7-methyl-1H-carbazol-1-ide;platinum?

The InChIKey is ASGHGDXXJOMJMK-KAROYRPWSA-N. The full InChI is InChI=1S/C69H71N4O.Pt/c1-44(2)34-46-36-56(47-18-16-19-49(38-47)66(4,5)6)65(57(37-46)48-25-29-58-59(39-48)69(12,13)32-31-68(58,10)11)72-43-71(60-22-14-15-23-61(60)72)51-20-17-21-52(41-51)74-53-26-28-55-54-27-24-45(3)35-62(54)73(63(55)42-53)64-40-50(30-33-70-64)67(7,8)9;/h14-30,33,35-40,43-44H,31-32,34H2,1-13H3;/q-3;/i16D,18D,19D,24D,27D,34D2,35D,38D;.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3-tert-butyl-2,4,5,6-tetradeuteriophenyl)-4-(1,1-dideuterio-2-methylpropyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,8-trideuterio-7-methyl-1H-carbazol-1-ide;platinum?

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3-tert-butyl-2,4,5,6-tetradeuteriophenyl)-4-(1,1-dideuterio-2-methylpropyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,8-trideuterio-7-methyl-1H-carbazol-1-ide;platinum has a molecular weight of 1176.49 g/mol, XLogP of 18.76, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3-tert-butyl-2,4,5,6-tetradeuteriophenyl)-4-(1,1-dideuterio-2-methylpropyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,8-trideuterio-7-methyl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 177276162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).