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

C80H77N4OPt-3 — CID 177276320

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

2-[3-[3-[4-tert-butyl-2-(3-tert-butyl-5-phenylphenyl)-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-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum (PubChem CID 177276320) has the molecular formula C80H77N4OPt-3 and a molecular weight of 1314.66 g/mol. Its IUPAC name is 2-[3-[3-[4-tert-butyl-2-(3-tert-butyl-5-phenylphenyl)-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-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[4-tert-butyl-2-(3-tert-butyl-5-phenylphenyl)-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-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum
• PubChem CID: 177276320
• Molecular Formula: C80H77N4OPt-3
• Molecular Weight: 1314.66 g/mol
• Exact Mass: 1313.63
• IUPAC Name: 2-[3-[3-[4-tert-butyl-2-(3-tert-butyl-5-phenylphenyl)-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-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2cnc(-n3c4[c-]c(Oc5[c-]c(N6[CH-]N(c7c(-c8cc(-c9ccccc9)cc(C(C)(C)C)c8)cc(C(C)(C)C)cc7-c7ccc8c(c7)C(C)(C)CCC8(C)C)c7ccccc76)ccc5)ccc4c4c([2H])c([2H])c([2H])c([2H])c43)cc2C(C)(C)C)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C80H77N4O.Pt/c1-76(2,3)57-42-55(52-25-16-14-17-26-52)41-56(43-57)65-46-58(77(4,5)6)45-64(54-35-38-67-69(44-54)80(12,13)40-39-79(67,10)11)75(65)83-51-82(71-33-22-23-34-72(71)83)59-29-24-30-60(47-59)85-61-36-37-63-62-31-20-21-32-70(62)84(73(63)48-61)74-49-68(78(7,8)9)66(50-81-74)53-27-18-15-19-28-53;/h14-38,41-46,49-51H,39-40H2,1-13H3;/q-3;/i15D,18D,19D,20D,21D,27D,28D,31D,32D
• InChIKey: RPQMLAURQMRXMP-FKKYEGCISA-N
• XLogP: 21.89
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1314.66
LogP ≤ 5	21.89
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-(3-tert-butyl-5-phenylphenyl)-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-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[4-tert-butyl-2-(3-tert-butyl-5-phenylphenyl)-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-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum (CID 177276320) is 2-[3-[3-[4-tert-butyl-2-(3-tert-butyl-5-phenylphenyl)-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-5-(2,3,4,5,6-pentadeuteriophenyl)-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-(3-tert-butyl-5-phenylphenyl)-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-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[3-[4-tert-butyl-2-(3-tert-butyl-5-phenylphenyl)-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-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum is [2H]c1c([2H])c([2H])c(-c2cnc(-n3c4[c-]c(Oc5[c-]c(N6[CH-]N(c7c(-c8cc(-c9ccccc9)cc(C(C)(C)C)c8)cc(C(C)(C)C)cc7-c7ccc8c(c7)C(C)(C)CCC8(C)C)c7ccccc76)ccc5)ccc4c4c([2H])c([2H])c([2H])c([2H])c43)cc2C(C)(C)C)c([2H])c1[2H].[Pt].

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

The InChIKey is RPQMLAURQMRXMP-FKKYEGCISA-N. The full InChI is InChI=1S/C80H77N4O.Pt/c1-76(2,3)57-42-55(52-25-16-14-17-26-52)41-56(43-57)65-46-58(77(4,5)6)45-64(54-35-38-67-69(44-54)80(12,13)40-39-79(67,10)11)75(65)83-51-82(71-33-22-23-34-72(71)83)59-29-24-30-60(47-59)85-61-36-37-63-62-31-20-21-32-70(62)84(73(63)48-61)74-49-68(78(7,8)9)66(50-81-74)53-27-18-15-19-28-53;/h14-38,41-46,49-51H,39-40H2,1-13H3;/q-3;/i15D,18D,19D,20D,21D,27D,28D,31D,32D;.

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

2-[3-[3-[4-tert-butyl-2-(3-tert-butyl-5-phenylphenyl)-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-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum has a molecular weight of 1314.66 g/mol, XLogP of 21.89, 9 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-(3-tert-butyl-5-phenylphenyl)-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-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 177276320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).