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

C77H71N4OPt-3 — CID 176756943

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

9-(4-tert-butyl-5-phenyl-2-pyridinyl)-2-[3-[3-[2-[4-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-2,3,6-trideuterio-5-(trideuteriomethyl)phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum (PubChem CID 176756943) has the molecular formula C77H71N4OPt-3 and a molecular weight of 1277.61 g/mol. Its IUPAC name is 9-(4-tert-butyl-5-phenyl-2-pyridinyl)-2-[3-[3-[2-[4-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-2,3,6-trideuterio-5-(trideuteriomethyl)phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-5-phenyl-2-pyridinyl)-2-[3-[3-[2-[4-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-2,3,6-trideuterio-5-(trideuteriomethyl)phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum
• PubChem CID: 176756943
• Molecular Formula: C77H71N4OPt-3
• Molecular Weight: 1277.61 g/mol
• Exact Mass: 1276.62
• IUPAC Name: 9-(4-tert-butyl-5-phenyl-2-pyridinyl)-2-[3-[3-[2-[4-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-2,3,6-trideuterio-5-(trideuteriomethyl)phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1c([2H])c(-c2c([2H])c([2H])c(C(C)(C)C)c([2H])c2[2H])c(C([2H])([2H])[2H])c([2H])c1-c1cccc(-c2ccc3c(c2)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(C)(C)C)c(-c4ccccc4)cn3)ccc2)c2ccccc21.[Pt]
• InChI: InChI=1S/C77H71N4O.Pt/c1-50-43-53(33-38-59(50)52-31-35-55(36-32-52)74(2,3)4)60-26-20-27-61(54-34-40-65-67(44-54)77(10,11)42-41-76(65,8)9)73(60)80-49-79(69-29-17-18-30-70(69)80)56-23-19-24-57(45-56)82-58-37-39-63-62-25-15-16-28-68(62)81(71(63)46-58)72-47-66(75(5,6)7)64(48-78-72)51-21-13-12-14-22-51;/h12-40,43-44,47-49H,41-42H2,1-11H3;/q-3;/i1D3,15D,16D,25D,28D,31D,32D,33D,35D,36D,38D,43D
• InChIKey: HXHPPOCDMWDBFR-LGHIEIFLSA-N
• XLogP: 20.90
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1277.61
LogP ≤ 5	20.90
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-5-phenyl-2-pyridinyl)-2-[3-[3-[2-[4-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-2,3,6-trideuterio-5-(trideuteriomethyl)phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-5-phenyl-2-pyridinyl)-2-[3-[3-[2-[4-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-2,3,6-trideuterio-5-(trideuteriomethyl)phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum (CID 176756943) is 9-(4-tert-butyl-5-phenyl-2-pyridinyl)-2-[3-[3-[2-[4-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-2,3,6-trideuterio-5-(trideuteriomethyl)phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 9-(4-tert-butyl-5-phenyl-2-pyridinyl)-2-[3-[3-[2-[4-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-2,3,6-trideuterio-5-(trideuteriomethyl)phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum is [2H]c1c([2H])c(-c2c([2H])c([2H])c(C(C)(C)C)c([2H])c2[2H])c(C([2H])([2H])[2H])c([2H])c1-c1cccc(-c2ccc3c(c2)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(C)(C)C)c(-c4ccccc4)cn3)ccc2)c2ccccc21.[Pt].

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

The InChIKey is HXHPPOCDMWDBFR-LGHIEIFLSA-N. The full InChI is InChI=1S/C77H71N4O.Pt/c1-50-43-53(33-38-59(50)52-31-35-55(36-32-52)74(2,3)4)60-26-20-27-61(54-34-40-65-67(44-54)77(10,11)42-41-76(65,8)9)73(60)80-49-79(69-29-17-18-30-70(69)80)56-23-19-24-57(45-56)82-58-37-39-63-62-25-15-16-28-68(62)81(71(63)46-58)72-47-66(75(5,6)7)64(48-78-72)51-21-13-12-14-22-51;/h12-40,43-44,47-49H,41-42H2,1-11H3;/q-3;/i1D3,15D,16D,25D,28D,31D,32D,33D,35D,36D,38D,43D;.

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

9-(4-tert-butyl-5-phenyl-2-pyridinyl)-2-[3-[3-[2-[4-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-2,3,6-trideuterio-5-(trideuteriomethyl)phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum has a molecular weight of 1277.61 g/mol, XLogP of 20.90, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-5-phenyl-2-pyridinyl)-2-[3-[3-[2-[4-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-2,3,6-trideuterio-5-(trideuteriomethyl)phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 176756943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).