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

C66H65N4OPt-3 — CID 176756736

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

2-[3-[3-[2-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 176756736) has the molecular formula C66H65N4OPt-3 and a molecular weight of 1137.42 g/mol. Its IUPAC name is 2-[3-[3-[2-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[2-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 176756736
• Molecular Formula: C66H65N4OPt-3
• Molecular Weight: 1137.42 g/mol
• Exact Mass: 1136.56
• IUPAC Name: 2-[3-[3-[2-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1c([2H])c2c(c([2H])c1-c1cccc(-c3ccc(C(C)(C)C)cc3C([2H])([2H])[2H])c1N1[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4c([2H])c([2H])c([2H])c([2H])c4n5-c4cc(C([2H])([2H])C(C)(C)C)ccn4)ccc3)c3ccccc31)C(C)(C)CCC2(C)C.[Pt]
• InChI: InChI=1S/C66H65N4O.Pt/c1-43-36-46(64(5,6)7)27-29-50(43)54-22-17-21-51(45-26-31-55-56(38-45)66(10,11)34-33-65(55,8)9)62(54)69-42-68(58-24-14-15-25-59(58)69)47-18-16-19-48(39-47)71-49-28-30-53-52-20-12-13-23-57(52)70(60(53)40-49)61-37-44(32-35-67-61)41-63(2,3)4;/h12-32,35-38,42H,33-34,41H2,1-11H3;/q-3;/i1D3,12D,13D,20D,23D,26D,31D,38D,41D2
• InChIKey: POERCINZPYGHLR-NPRKSXBZSA-N
• XLogP: 17.86
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1137.42
LogP ≤ 5	17.86
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 2-[3-[3-[2-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[2-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 176756736) is 2-[3-[3-[2-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-[3-[2-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is [2H]c1c([2H])c2c(c([2H])c1-c1cccc(-c3ccc(C(C)(C)C)cc3C([2H])([2H])[2H])c1N1[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4c([2H])c([2H])c([2H])c([2H])c4n5-c4cc(C([2H])([2H])C(C)(C)C)ccn4)ccc3)c3ccccc31)C(C)(C)CCC2(C)C.[Pt].

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

The InChIKey is POERCINZPYGHLR-NPRKSXBZSA-N. The full InChI is InChI=1S/C66H65N4O.Pt/c1-43-36-46(64(5,6)7)27-29-50(43)54-22-17-21-51(45-26-31-55-56(38-45)66(10,11)34-33-65(55,8)9)62(54)69-42-68(58-24-14-15-25-59(58)69)47-18-16-19-48(39-47)71-49-28-30-53-52-20-12-13-23-57(52)70(60(53)40-49)61-37-44(32-35-67-61)41-63(2,3)4;/h12-32,35-38,42H,33-34,41H2,1-11H3;/q-3;/i1D3,12D,13D,20D,23D,26D,31D,38D,41D2;.

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

2-[3-[3-[2-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1137.42 g/mol, XLogP of 17.86, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[2-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 176756736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).