platinum;5,6,7,8-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-5-phenyl-2-pyridinyl]-2-[3-[3-[2-[2,3,5,6-tetradeuterio-4-(2,4-ditert-butyl-3,5,6-trideuteriophenyl)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

C80H77N4OPt-3 — CID 176756782

About platinum;5,6,7,8-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-5-phenyl-2-pyridinyl]-2-[3-[3-[2-[2,3,5,6-tetradeuterio-4-(2,4-ditert-butyl-3,5,6-trideuteriophenyl)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;5,6,7,8-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-5-phenyl-2-pyridinyl]-2-[3-[3-[2-[2,3,5,6-tetradeuterio-4-(2,4-ditert-butyl-3,5,6-trideuteriophenyl)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 (PubChem CID 176756782) has the molecular formula C80H77N4OPt-3 and a molecular weight of 1321.70 g/mol. Its IUPAC name is platinum;5,6,7,8-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-5-phenyl-2-pyridinyl]-2-[3-[3-[2-[2,3,5,6-tetradeuterio-4-(2,4-ditert-butyl-3,5,6-trideuteriophenyl)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.

Molecular Properties

• Compound Name: platinum;5,6,7,8-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-5-phenyl-2-pyridinyl]-2-[3-[3-[2-[2,3,5,6-tetradeuterio-4-(2,4-ditert-butyl-3,5,6-trideuteriophenyl)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
• PubChem CID: 176756782
• Molecular Formula: C80H77N4OPt-3
• Molecular Weight: 1321.70 g/mol
• Exact Mass: 1320.68
• IUPAC Name: platinum;5,6,7,8-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-5-phenyl-2-pyridinyl]-2-[3-[3-[2-[2,3,5,6-tetradeuterio-4-(2,4-ditert-butyl-3,5,6-trideuteriophenyl)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
• SMILES: [2H]c1c([2H])c(-c2c([2H])c([2H])c(C(C)(C)C)c([2H])c2C(C)(C)C)c([2H])c([2H])c1-c1cccc(-c2c([2H])c([2H])c3c(c2[2H])C(C)(C)CCC3(C)C)c1N1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3c([2H])c([2H])c([2H])c([2H])c3n4-c3cc(C([2H])([2H])C(C)C)c(-c4ccccc4)cn3)ccc2)c2ccccc21.[Pt]
• InChI: InChI=1S/C80H77N4O.Pt/c1-52(2)44-57-46-75(81-50-67(57)53-22-14-13-15-23-53)84-71-29-17-16-26-65(71)66-40-38-61(49-74(66)84)85-60-25-20-24-59(48-60)82-51-83(73-31-19-18-30-72(73)82)76-63(27-21-28-64(76)56-36-41-68-70(45-56)80(11,12)43-42-79(68,9)10)55-34-32-54(33-35-55)62-39-37-58(77(3,4)5)47-69(62)78(6,7)8;/h13-41,45-47,50-52H,42-44H2,1-12H3;/q-3;/i16D,17D,26D,29D,32D,33D,34D,35D,36D,37D,39D,41D,44D2,45D,47D
• InChIKey: FBEDEPBKPRHJMD-SNISTHEDSA-N
• XLogP: 21.79
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1321.70
LogP ≤ 5	21.79
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 platinum;5,6,7,8-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-5-phenyl-2-pyridinyl]-2-[3-[3-[2-[2,3,5,6-tetradeuterio-4-(2,4-ditert-butyl-3,5,6-trideuteriophenyl)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?

The IUPAC name of platinum;5,6,7,8-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-5-phenyl-2-pyridinyl]-2-[3-[3-[2-[2,3,5,6-tetradeuterio-4-(2,4-ditert-butyl-3,5,6-trideuteriophenyl)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 (CID 176756782) is platinum;5,6,7,8-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-5-phenyl-2-pyridinyl]-2-[3-[3-[2-[2,3,5,6-tetradeuterio-4-(2,4-ditert-butyl-3,5,6-trideuteriophenyl)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.

What is the SMILES notation for platinum;5,6,7,8-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-5-phenyl-2-pyridinyl]-2-[3-[3-[2-[2,3,5,6-tetradeuterio-4-(2,4-ditert-butyl-3,5,6-trideuteriophenyl)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?

The canonical SMILES for platinum;5,6,7,8-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-5-phenyl-2-pyridinyl]-2-[3-[3-[2-[2,3,5,6-tetradeuterio-4-(2,4-ditert-butyl-3,5,6-trideuteriophenyl)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 is [2H]c1c([2H])c(-c2c([2H])c([2H])c(C(C)(C)C)c([2H])c2C(C)(C)C)c([2H])c([2H])c1-c1cccc(-c2c([2H])c([2H])c3c(c2[2H])C(C)(C)CCC3(C)C)c1N1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3c([2H])c([2H])c([2H])c([2H])c3n4-c3cc(C([2H])([2H])C(C)C)c(-c4ccccc4)cn3)ccc2)c2ccccc21.[Pt].

What is the InChIKey of platinum;5,6,7,8-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-5-phenyl-2-pyridinyl]-2-[3-[3-[2-[2,3,5,6-tetradeuterio-4-(2,4-ditert-butyl-3,5,6-trideuteriophenyl)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?

The InChIKey is FBEDEPBKPRHJMD-SNISTHEDSA-N. The full InChI is InChI=1S/C80H77N4O.Pt/c1-52(2)44-57-46-75(81-50-67(57)53-22-14-13-15-23-53)84-71-29-17-16-26-65(71)66-40-38-61(49-74(66)84)85-60-25-20-24-59(48-60)82-51-83(73-31-19-18-30-72(73)82)76-63(27-21-28-64(76)56-36-41-68-70(45-56)80(11,12)43-42-79(68,9)10)55-34-32-54(33-35-55)62-39-37-58(77(3,4)5)47-69(62)78(6,7)8;/h13-41,45-47,50-52H,42-44H2,1-12H3;/q-3;/i16D,17D,26D,29D,32D,33D,34D,35D,36D,37D,39D,41D,44D2,45D,47D;.

What are the key properties of platinum;5,6,7,8-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-5-phenyl-2-pyridinyl]-2-[3-[3-[2-[2,3,5,6-tetradeuterio-4-(2,4-ditert-butyl-3,5,6-trideuteriophenyl)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;5,6,7,8-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-5-phenyl-2-pyridinyl]-2-[3-[3-[2-[2,3,5,6-tetradeuterio-4-(2,4-ditert-butyl-3,5,6-trideuteriophenyl)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 has a molecular weight of 1321.70 g/mol, XLogP of 21.79, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for platinum;5,6,7,8-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-5-phenyl-2-pyridinyl]-2-[3-[3-[2-[2,3,5,6-tetradeuterio-4-(2,4-ditert-butyl-3,5,6-trideuteriophenyl)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 is sourced from PubChem (CID 176756782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).