9-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-[3-[3-[2-[3-phenyl-5-[2-(trideuteriomethyl)phenyl]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-1H-carbazol-1-ide;platinum

C73H63N4OPt-3 — CID 176756704

About 9-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-[3-[3-[2-[3-phenyl-5-[2-(trideuteriomethyl)phenyl]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-1H-carbazol-1-ide;platinum

9-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-[3-[3-[2-[3-phenyl-5-[2-(trideuteriomethyl)phenyl]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-1H-carbazol-1-ide;platinum (PubChem CID 176756704) has the molecular formula C73H63N4OPt-3 and a molecular weight of 1215.46 g/mol. Its IUPAC name is 9-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-[3-[3-[2-[3-phenyl-5-[2-(trideuteriomethyl)phenyl]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-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-[3-[3-[2-[3-phenyl-5-[2-(trideuteriomethyl)phenyl]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-1H-carbazol-1-ide;platinum
• PubChem CID: 176756704
• Molecular Formula: C73H63N4OPt-3
• Molecular Weight: 1215.46 g/mol
• Exact Mass: 1214.52
• IUPAC Name: 9-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-[3-[3-[2-[3-phenyl-5-[2-(trideuteriomethyl)phenyl]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-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1c([2H])c2c(c([2H])c1-c1cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4C([2H])([2H])[2H])c3)c1N1[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C([2H])([2H])C(C)C)ccn4)ccc3)c3ccccc31)C(C)(C)CCC2(C)C.[Pt]
• InChI: InChI=1S/C73H63N4O.Pt/c1-48(2)39-50-35-38-74-70(40-50)77-66-28-14-13-25-62(66)63-33-32-58(46-69(63)77)78-57-23-17-22-56(45-57)75-47-76(68-30-16-15-29-67(68)75)71-60(52-31-34-64-65(44-52)73(6,7)37-36-72(64,4)5)26-18-27-61(71)55-42-53(51-20-9-8-10-21-51)41-54(43-55)59-24-12-11-19-49(59)3;/h8-35,38,40-44,47-48H,36-37,39H2,1-7H3;/q-3;/i3D3,31D,34D,39D2,44D
• InChIKey: TZYPWLPFMFFRLS-DUFHXDPASA-N
• XLogP: 19.50
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1215.46
LogP ≤ 5	19.50
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-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-[3-[3-[2-[3-phenyl-5-[2-(trideuteriomethyl)phenyl]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-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-[3-[3-[2-[3-phenyl-5-[2-(trideuteriomethyl)phenyl]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-1H-carbazol-1-ide;platinum (CID 176756704) is 9-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-[3-[3-[2-[3-phenyl-5-[2-(trideuteriomethyl)phenyl]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-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 9-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-[3-[3-[2-[3-phenyl-5-[2-(trideuteriomethyl)phenyl]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-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-[3-[3-[2-[3-phenyl-5-[2-(trideuteriomethyl)phenyl]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-1H-carbazol-1-ide;platinum is [2H]c1c([2H])c2c(c([2H])c1-c1cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4C([2H])([2H])[2H])c3)c1N1[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C([2H])([2H])C(C)C)ccn4)ccc3)c3ccccc31)C(C)(C)CCC2(C)C.[Pt].

What is the InChIKey of 9-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-[3-[3-[2-[3-phenyl-5-[2-(trideuteriomethyl)phenyl]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-1H-carbazol-1-ide;platinum?

The InChIKey is TZYPWLPFMFFRLS-DUFHXDPASA-N. The full InChI is InChI=1S/C73H63N4O.Pt/c1-48(2)39-50-35-38-74-70(40-50)77-66-28-14-13-25-62(66)63-33-32-58(46-69(63)77)78-57-23-17-22-56(45-57)75-47-76(68-30-16-15-29-67(68)75)71-60(52-31-34-64-65(44-52)73(6,7)37-36-72(64,4)5)26-18-27-61(71)55-42-53(51-20-9-8-10-21-51)41-54(43-55)59-24-12-11-19-49(59)3;/h8-35,38,40-44,47-48H,36-37,39H2,1-7H3;/q-3;/i3D3,31D,34D,39D2,44D;.

What are the key properties of 9-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-[3-[3-[2-[3-phenyl-5-[2-(trideuteriomethyl)phenyl]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-1H-carbazol-1-ide;platinum?

9-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-[3-[3-[2-[3-phenyl-5-[2-(trideuteriomethyl)phenyl]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-1H-carbazol-1-ide;platinum has a molecular weight of 1215.46 g/mol, XLogP of 19.50, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-[3-[3-[2-[3-phenyl-5-[2-(trideuteriomethyl)phenyl]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-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 176756704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).