2-[3-[3-[2-(3-tert-butyl-2,4,5,6-tetradeuteriophenyl)-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-9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-phenyl-2-pyridinyl]-1H-carbazol-1-ide;platinum

C71H67N4OPt-3 — CID 176756793

About 2-[3-[3-[2-(3-tert-butyl-2,4,5,6-tetradeuteriophenyl)-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-9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-phenyl-2-pyridinyl]-1H-carbazol-1-ide;platinum

2-[3-[3-[2-(3-tert-butyl-2,4,5,6-tetradeuteriophenyl)-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-9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-phenyl-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 176756793) has the molecular formula C71H67N4OPt-3 and a molecular weight of 1196.48 g/mol. Its IUPAC name is 2-[3-[3-[2-(3-tert-butyl-2,4,5,6-tetradeuteriophenyl)-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-9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-phenyl-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[2-(3-tert-butyl-2,4,5,6-tetradeuteriophenyl)-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-9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-phenyl-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 176756793
• Molecular Formula: C71H67N4OPt-3
• Molecular Weight: 1196.48 g/mol
• Exact Mass: 1195.55
• IUPAC Name: 2-[3-[3-[2-(3-tert-butyl-2,4,5,6-tetradeuteriophenyl)-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-9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-phenyl-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1c([2H])c(-c2cccc(-c3c([2H])c([2H])c4c(c3[2H])C(C)(C)CCC4(C)C)c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C([2H])([2H])C(C)(C)C)c(-c5ccccc5)cn4)ccc3)c3ccccc32)c([2H])c(C(C)(C)C)c1[2H].[Pt]
• InChI: InChI=1S/C71H67N4O.Pt/c1-68(2,3)44-50-41-66(72-45-59(50)47-21-12-11-13-22-47)75-62-30-15-14-27-57(62)58-35-34-54(43-65(58)75)76-53-26-19-25-52(42-53)73-46-74(64-32-17-16-31-63(64)73)67-55(48-23-18-24-51(39-48)69(4,5)6)28-20-29-56(67)49-33-36-60-61(40-49)71(9,10)38-37-70(60,7)8;/h11-36,39-41,45-46H,37-38,44H2,1-10H3;/q-3;/i18D,23D,24D,33D,36D,39D,40D,44D2
• InChIKey: UNEGUCPOHRMWGZ-UPBSNHINSA-N
• XLogP: 19.21
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1196.48
LogP ≤ 5	19.21
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-(3-tert-butyl-2,4,5,6-tetradeuteriophenyl)-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-9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-phenyl-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[2-(3-tert-butyl-2,4,5,6-tetradeuteriophenyl)-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-9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-phenyl-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 176756793) is 2-[3-[3-[2-(3-tert-butyl-2,4,5,6-tetradeuteriophenyl)-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-9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-phenyl-2-pyridinyl]-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-[3-[2-(3-tert-butyl-2,4,5,6-tetradeuteriophenyl)-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-9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-phenyl-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[3-[2-(3-tert-butyl-2,4,5,6-tetradeuteriophenyl)-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-9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-phenyl-2-pyridinyl]-1H-carbazol-1-ide;platinum is [2H]c1c([2H])c(-c2cccc(-c3c([2H])c([2H])c4c(c3[2H])C(C)(C)CCC4(C)C)c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C([2H])([2H])C(C)(C)C)c(-c5ccccc5)cn4)ccc3)c3ccccc32)c([2H])c(C(C)(C)C)c1[2H].[Pt].

What is the InChIKey of 2-[3-[3-[2-(3-tert-butyl-2,4,5,6-tetradeuteriophenyl)-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-9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-phenyl-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The InChIKey is UNEGUCPOHRMWGZ-UPBSNHINSA-N. The full InChI is InChI=1S/C71H67N4O.Pt/c1-68(2,3)44-50-41-66(72-45-59(50)47-21-12-11-13-22-47)75-62-30-15-14-27-57(62)58-35-34-54(43-65(58)75)76-53-26-19-25-52(42-53)73-46-74(64-32-17-16-31-63(64)73)67-55(48-23-18-24-51(39-48)69(4,5)6)28-20-29-56(67)49-33-36-60-61(40-49)71(9,10)38-37-70(60,7)8;/h11-36,39-41,45-46H,37-38,44H2,1-10H3;/q-3;/i18D,23D,24D,33D,36D,39D,40D,44D2;.

What are the key properties of 2-[3-[3-[2-(3-tert-butyl-2,4,5,6-tetradeuteriophenyl)-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-9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-phenyl-2-pyridinyl]-1H-carbazol-1-ide;platinum?

2-[3-[3-[2-(3-tert-butyl-2,4,5,6-tetradeuteriophenyl)-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-9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-phenyl-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1196.48 g/mol, XLogP of 19.21, 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-(3-tert-butyl-2,4,5,6-tetradeuteriophenyl)-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-9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-phenyl-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 176756793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).