2-[3-[3-[2-[4-(3-tert-butylphenyl)-2,3,5,6-tetradeuteriophenyl]-4-(1,1-dideuterio-2-methylpropyl)-6-(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 177276454

About 2-[3-[3-[2-[4-(3-tert-butylphenyl)-2,3,5,6-tetradeuteriophenyl]-4-(1,1-dideuterio-2-methylpropyl)-6-(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-[2-[4-(3-tert-butylphenyl)-2,3,5,6-tetradeuteriophenyl]-4-(1,1-dideuterio-2-methylpropyl)-6-(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 177276454) has the molecular formula C74H73N4OPt-3 and a molecular weight of 1239.56 g/mol. Its IUPAC name is 2-[3-[3-[2-[4-(3-tert-butylphenyl)-2,3,5,6-tetradeuteriophenyl]-4-(1,1-dideuterio-2-methylpropyl)-6-(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-[2-[4-(3-tert-butylphenyl)-2,3,5,6-tetradeuteriophenyl]-4-(1,1-dideuterio-2-methylpropyl)-6-(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: 177276454
• Molecular Formula: C74H73N4OPt-3
• Molecular Weight: 1239.56 g/mol
• Exact Mass: 1238.61
• IUPAC Name: 2-[3-[3-[2-[4-(3-tert-butylphenyl)-2,3,5,6-tetradeuteriophenyl]-4-(1,1-dideuterio-2-methylpropyl)-6-(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([2H])([2H])C(C)C)cc(-c3ccc4c(c3)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-c1cccc(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C74H73N4O.Pt/c1-48(2)39-49-40-61(51-29-27-50(28-30-51)52-19-17-20-54(42-52)71(3,4)5)70(62(41-49)53-31-34-63-64(43-53)74(11,12)37-36-73(63,9)10)77-47-76(66-25-15-16-26-67(66)77)56-21-18-22-57(45-56)79-58-32-33-60-59-23-13-14-24-65(59)78(68(60)46-58)69-44-55(35-38-75-69)72(6,7)8;/h13-35,38,40-44,47-48H,36-37,39H2,1-12H3;/q-3;/i13D,14D,23D,24D,27D,28D,29D,30D,39D2
• InChIKey: PRPMLOWOFIHSGE-JLINPZJISA-N
• XLogP: 20.12
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1239.56
LogP ≤ 5	20.12
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-[4-(3-tert-butylphenyl)-2,3,5,6-tetradeuteriophenyl]-4-(1,1-dideuterio-2-methylpropyl)-6-(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-[2-[4-(3-tert-butylphenyl)-2,3,5,6-tetradeuteriophenyl]-4-(1,1-dideuterio-2-methylpropyl)-6-(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 177276454) is 2-[3-[3-[2-[4-(3-tert-butylphenyl)-2,3,5,6-tetradeuteriophenyl]-4-(1,1-dideuterio-2-methylpropyl)-6-(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-[2-[4-(3-tert-butylphenyl)-2,3,5,6-tetradeuteriophenyl]-4-(1,1-dideuterio-2-methylpropyl)-6-(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-[2-[4-(3-tert-butylphenyl)-2,3,5,6-tetradeuteriophenyl]-4-(1,1-dideuterio-2-methylpropyl)-6-(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([2H])([2H])C(C)C)cc(-c3ccc4c(c3)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-c1cccc(C(C)(C)C)c1.[Pt].

What is the InChIKey of 2-[3-[3-[2-[4-(3-tert-butylphenyl)-2,3,5,6-tetradeuteriophenyl]-4-(1,1-dideuterio-2-methylpropyl)-6-(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 PRPMLOWOFIHSGE-JLINPZJISA-N. The full InChI is InChI=1S/C74H73N4O.Pt/c1-48(2)39-49-40-61(51-29-27-50(28-30-51)52-19-17-20-54(42-52)71(3,4)5)70(62(41-49)53-31-34-63-64(43-53)74(11,12)37-36-73(63,9)10)77-47-76(66-25-15-16-26-67(66)77)56-21-18-22-57(45-56)79-58-32-33-60-59-23-13-14-24-65(59)78(68(60)46-58)69-44-55(35-38-75-69)72(6,7)8;/h13-35,38,40-44,47-48H,36-37,39H2,1-12H3;/q-3;/i13D,14D,23D,24D,27D,28D,29D,30D,39D2;.

What are the key properties of 2-[3-[3-[2-[4-(3-tert-butylphenyl)-2,3,5,6-tetradeuteriophenyl]-4-(1,1-dideuterio-2-methylpropyl)-6-(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-[2-[4-(3-tert-butylphenyl)-2,3,5,6-tetradeuteriophenyl]-4-(1,1-dideuterio-2-methylpropyl)-6-(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 1239.56 g/mol, XLogP of 20.12, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[2-[4-(3-tert-butylphenyl)-2,3,5,6-tetradeuteriophenyl]-4-(1,1-dideuterio-2-methylpropyl)-6-(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 177276454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).