2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-tert-butyl-9-[4-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum

C82H75N4O2Pt-3 — CID 170671803

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

2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-tert-butyl-9-[4-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 170671803) has the molecular formula C82H75N4O2Pt-3 and a molecular weight of 1358.70 g/mol. Its IUPAC name is 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-tert-butyl-9-[4-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-tert-butyl-9-[4-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 170671803
• Molecular Formula: C82H75N4O2Pt-3
• Molecular Weight: 1358.70 g/mol
• Exact Mass: 1357.65
• IUPAC Name: 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-tert-butyl-9-[4-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2cc(C(C)(C)C)cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2Oc2ccnc(-n3c4[c-]c(Oc5[c-]c(N6[CH-]N(c7c(-c8c([2H])c([2H])c([2H])c([2H])c8[2H])cccc7-c7c([2H])c([2H])c([2H])c([2H])c7[2H])c7ccccc76)ccc5)ccc4c4cc(C(C)(C)C)ccc43)c2)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C82H75N4O2.Pt/c1-79(2,3)58-38-41-72-71(47-58)68-40-39-64(87-63-33-24-32-62(50-63)84-53-85(74-37-23-22-36-73(74)84)77-66(54-26-16-13-17-27-54)34-25-35-67(77)55-28-18-14-19-29-55)51-75(68)86(72)76-52-65(42-43-83-76)88-78-69(56-30-20-15-21-31-56)48-61(82(10,11)12)49-70(78)57-44-59(80(4,5)6)46-60(45-57)81(7,8)9;/h13-49,52-53H,1-12H3;/q-3;/i13D,14D,15D,16D,17D,18D,19D,20D,21D,26D,27D,28D,29D,30D,31D
• InChIKey: ORNQMWPYYGQVAO-HFYUMXDHSA-N
• XLogP: 22.63
• TPSA: 42.76 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1358.70
LogP ≤ 5	22.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-tert-butyl-9-[4-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-tert-butyl-9-[4-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 170671803) is 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-tert-butyl-9-[4-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-tert-butyl-9-[4-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum is [2H]c1c([2H])c([2H])c(-c2cc(C(C)(C)C)cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2Oc2ccnc(-n3c4[c-]c(Oc5[c-]c(N6[CH-]N(c7c(-c8c([2H])c([2H])c([2H])c([2H])c8[2H])cccc7-c7c([2H])c([2H])c([2H])c([2H])c7[2H])c7ccccc76)ccc5)ccc4c4cc(C(C)(C)C)ccc43)c2)c([2H])c1[2H].[Pt].

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

The InChIKey is ORNQMWPYYGQVAO-HFYUMXDHSA-N. The full InChI is InChI=1S/C82H75N4O2.Pt/c1-79(2,3)58-38-41-72-71(47-58)68-40-39-64(87-63-33-24-32-62(50-63)84-53-85(74-37-23-22-36-73(74)84)77-66(54-26-16-13-17-27-54)34-25-35-67(77)55-28-18-14-19-29-55)51-75(68)86(72)76-52-65(42-43-83-76)88-78-69(56-30-20-15-21-31-56)48-61(82(10,11)12)49-70(78)57-44-59(80(4,5)6)46-60(45-57)81(7,8)9;/h13-49,52-53H,1-12H3;/q-3;/i13D,14D,15D,16D,17D,18D,19D,20D,21D,26D,27D,28D,29D,30D,31D;.

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

2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-tert-butyl-9-[4-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1358.70 g/mol, XLogP of 22.63, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-tert-butyl-9-[4-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 170671803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).