2-[3-[3-[4-tert-butyl-2-[4-(4-tert-butylphenyl)-2,3,5,6-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-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum

C74H73N4OPt-3 — CID 177276233

About 2-[3-[3-[4-tert-butyl-2-[4-(4-tert-butylphenyl)-2,3,5,6-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-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum

2-[3-[3-[4-tert-butyl-2-[4-(4-tert-butylphenyl)-2,3,5,6-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-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum (PubChem CID 177276233) has the molecular formula C74H73N4OPt-3 and a molecular weight of 1240.57 g/mol. Its IUPAC name is 2-[3-[3-[4-tert-butyl-2-[4-(4-tert-butylphenyl)-2,3,5,6-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-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[4-tert-butyl-2-[4-(4-tert-butylphenyl)-2,3,5,6-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-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum
• PubChem CID: 177276233
• Molecular Formula: C74H73N4OPt-3
• Molecular Weight: 1240.57 g/mol
• Exact Mass: 1239.61
• IUPAC Name: 2-[3-[3-[4-tert-butyl-2-[4-(4-tert-butylphenyl)-2,3,5,6-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-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1c([2H])c(-c2cc(C(C)(C)C)cc(-c3c([2H])c([2H])c4c(c3[2H])C(C)(C)CCC4(C)C)c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4c([2H])c([2H])c([2H])c([2H])c4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)c([2H])c([2H])c1-c1ccc(C(C)(C)C)cc1.[Pt]
• InChI: InChI=1S/C74H73N4O.Pt/c1-70(2,3)52-32-29-49(30-33-52)48-25-27-50(28-26-48)60-42-54(72(7,8)9)43-61(51-31-36-62-63(41-51)74(12,13)39-38-73(62,10)11)69(60)77-47-76(65-23-16-17-24-66(65)77)55-19-18-20-56(45-55)79-57-34-35-59-58-21-14-15-22-64(58)78(67(59)46-57)68-44-53(37-40-75-68)71(4,5)6;/h14-37,40-44,47H,38-39H2,1-13H3;/q-3;/i14D,15D,21D,22D,25D,26D,27D,28D,31D,36D,41D
• InChIKey: STZAUGNVHDHBHR-AZPKQNJASA-N
• XLogP: 20.22
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1240.57
LogP ≤ 5	20.22
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-[4-tert-butyl-2-[4-(4-tert-butylphenyl)-2,3,5,6-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-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[4-tert-butyl-2-[4-(4-tert-butylphenyl)-2,3,5,6-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-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum (CID 177276233) is 2-[3-[3-[4-tert-butyl-2-[4-(4-tert-butylphenyl)-2,3,5,6-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-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-[3-[4-tert-butyl-2-[4-(4-tert-butylphenyl)-2,3,5,6-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-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[3-[4-tert-butyl-2-[4-(4-tert-butylphenyl)-2,3,5,6-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-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum is [2H]c1c([2H])c(-c2cc(C(C)(C)C)cc(-c3c([2H])c([2H])c4c(c3[2H])C(C)(C)CCC4(C)C)c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4c([2H])c([2H])c([2H])c([2H])c4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)c([2H])c([2H])c1-c1ccc(C(C)(C)C)cc1.[Pt].

What is the InChIKey of 2-[3-[3-[4-tert-butyl-2-[4-(4-tert-butylphenyl)-2,3,5,6-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-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum?

The InChIKey is STZAUGNVHDHBHR-AZPKQNJASA-N. The full InChI is InChI=1S/C74H73N4O.Pt/c1-70(2,3)52-32-29-49(30-33-52)48-25-27-50(28-26-48)60-42-54(72(7,8)9)43-61(51-31-36-62-63(41-51)74(12,13)39-38-73(62,10)11)69(60)77-47-76(65-23-16-17-24-66(65)77)55-19-18-20-56(45-55)79-57-34-35-59-58-21-14-15-22-64(58)78(67(59)46-57)68-44-53(37-40-75-68)71(4,5)6;/h14-37,40-44,47H,38-39H2,1-13H3;/q-3;/i14D,15D,21D,22D,25D,26D,27D,28D,31D,36D,41D;.

What are the key properties of 2-[3-[3-[4-tert-butyl-2-[4-(4-tert-butylphenyl)-2,3,5,6-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-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum?

2-[3-[3-[4-tert-butyl-2-[4-(4-tert-butylphenyl)-2,3,5,6-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-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum has a molecular weight of 1240.57 g/mol, XLogP of 20.22, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[4-tert-butyl-2-[4-(4-tert-butylphenyl)-2,3,5,6-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-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 177276233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).