2-[3-[3-[4-tert-butyl-2-(3-tert-butyl-2,4,5,6-tetradeuteriophenyl)-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

C74H73N4OPt-3 — CID 177276461

About 2-[3-[3-[4-tert-butyl-2-(3-tert-butyl-2,4,5,6-tetradeuteriophenyl)-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-2,4,5,6-tetradeuteriophenyl)-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 177276461) has the molecular formula C74H73N4OPt-3 and a molecular weight of 1242.58 g/mol. Its IUPAC name is 2-[3-[3-[4-tert-butyl-2-(3-tert-butyl-2,4,5,6-tetradeuteriophenyl)-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-2,4,5,6-tetradeuteriophenyl)-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: 177276461
• Molecular Formula: C74H73N4OPt-3
• Molecular Weight: 1242.58 g/mol
• Exact Mass: 1241.63
• IUPAC Name: 2-[3-[3-[4-tert-butyl-2-(3-tert-butyl-2,4,5,6-tetradeuteriophenyl)-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(-c8ccc9c(c8)C(C)(C)CCC9(C)C)cc(C(C)(C)C)cc7-c7c([2H])c([2H])c([2H])c(C(C)(C)C)c7[2H])c7ccccc76)ccc5)ccc4c4c([2H])c([2H])c([2H])c([2H])c43)cc2C(C)(C)C)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C74H73N4O.Pt/c1-70(2,3)51-26-21-25-49(39-51)58-41-52(71(4,5)6)42-59(50-33-36-61-63(40-50)74(12,13)38-37-73(61,10)11)69(58)77-47-76(65-31-19-20-32-66(65)77)53-27-22-28-54(43-53)79-55-34-35-57-56-29-17-18-30-64(56)78(67(57)44-55)68-45-62(72(7,8)9)60(46-75-68)48-23-15-14-16-24-48;/h14-36,39-42,45-47H,37-38H2,1-13H3;/q-3;/i14D,15D,16D,17D,18D,21D,23D,24D,25D,26D,29D,30D,39D
• InChIKey: KVZUCUJKFIAZHC-HCNSQHLASA-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	1242.58
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-(3-tert-butyl-2,4,5,6-tetradeuteriophenyl)-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-2,4,5,6-tetradeuteriophenyl)-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 177276461) is 2-[3-[3-[4-tert-butyl-2-(3-tert-butyl-2,4,5,6-tetradeuteriophenyl)-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-2,4,5,6-tetradeuteriophenyl)-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-2,4,5,6-tetradeuteriophenyl)-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(-c8ccc9c(c8)C(C)(C)CCC9(C)C)cc(C(C)(C)C)cc7-c7c([2H])c([2H])c([2H])c(C(C)(C)C)c7[2H])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-2,4,5,6-tetradeuteriophenyl)-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 KVZUCUJKFIAZHC-HCNSQHLASA-N. The full InChI is InChI=1S/C74H73N4O.Pt/c1-70(2,3)51-26-21-25-49(39-51)58-41-52(71(4,5)6)42-59(50-33-36-61-63(40-50)74(12,13)38-37-73(61,10)11)69(58)77-47-76(65-31-19-20-32-66(65)77)53-27-22-28-54(43-53)79-55-34-35-57-56-29-17-18-30-64(56)78(67(57)44-55)68-45-62(72(7,8)9)60(46-75-68)48-23-15-14-16-24-48;/h14-36,39-42,45-47H,37-38H2,1-13H3;/q-3;/i14D,15D,16D,17D,18D,21D,23D,24D,25D,26D,29D,30D,39D;.

What are the key properties of 2-[3-[3-[4-tert-butyl-2-(3-tert-butyl-2,4,5,6-tetradeuteriophenyl)-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-2,4,5,6-tetradeuteriophenyl)-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 1242.58 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-(3-tert-butyl-2,4,5,6-tetradeuteriophenyl)-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 177276461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).