2-[3-[3-[2,6-bis(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

C64H63N4OPt-3 — CID 162480724

About 2-[3-[3-[2,6-bis(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

2-[3-[3-[2,6-bis(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 162480724) has the molecular formula C64H63N4OPt-3 and a molecular weight of 1107.36 g/mol. Its IUPAC name is 2-[3-[3-[2,6-bis(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[2,6-bis(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 162480724
• Molecular Formula: C64H63N4OPt-3
• Molecular Weight: 1107.36 g/mol
• Exact Mass: 1106.52
• IUPAC Name: 2-[3-[3-[2,6-bis(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1c([2H])c(C(C)(C)C)c([2H])c([2H])c1-c1cccc(-c2c([2H])c([2H])c(C(C)(C)C)c([2H])c2[2H])c1N1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)c2ccccc21.[Pt]
• InChI: InChI=1S/C64H63N4O.Pt/c1-61(2,3)44-28-24-42(25-29-44)51-19-17-20-52(43-26-30-45(31-27-43)62(4,5)6)60(51)67-41-66(56-22-15-16-23-57(56)67)48-36-47(64(10,11)12)37-50(39-48)69-49-32-33-54-53-18-13-14-21-55(53)68(58(54)40-49)59-38-46(34-35-65-59)63(7,8)9;/h13-38,41H,1-12H3;/q-3;/i24D,25D,26D,27D,28D,29D,30D,31D
• InChIKey: LYEJCWOXEODPPH-DUBUDCLVSA-N
• XLogP: 17.50
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1107.36
LogP ≤ 5	17.50
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-[2,6-bis(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[2,6-bis(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 162480724) is 2-[3-[3-[2,6-bis(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-[3-[2,6-bis(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[3-[2,6-bis(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is [2H]c1c([2H])c(C(C)(C)C)c([2H])c([2H])c1-c1cccc(-c2c([2H])c([2H])c(C(C)(C)C)c([2H])c2[2H])c1N1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)c2ccccc21.[Pt].

What is the InChIKey of 2-[3-[3-[2,6-bis(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The InChIKey is LYEJCWOXEODPPH-DUBUDCLVSA-N. The full InChI is InChI=1S/C64H63N4O.Pt/c1-61(2,3)44-28-24-42(25-29-44)51-19-17-20-52(43-26-30-45(31-27-43)62(4,5)6)60(51)67-41-66(56-22-15-16-23-57(56)67)48-36-47(64(10,11)12)37-50(39-48)69-49-32-33-54-53-18-13-14-21-55(53)68(58(54)40-49)59-38-46(34-35-65-59)63(7,8)9;/h13-38,41H,1-12H3;/q-3;/i24D,25D,26D,27D,28D,29D,30D,31D;.

What are the key properties of 2-[3-[3-[2,6-bis(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

2-[3-[3-[2,6-bis(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 1107.36 g/mol, XLogP of 17.50, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[2,6-bis(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162480724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).