1,2,3,4,5,6,7,8-octadeuterio-9-[2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-id-4-yl]carbazole;platinum

C70H57N5OPt-2 — CID 171610350

About 1,2,3,4,5,6,7,8-octadeuterio-9-[2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-id-4-yl]carbazole;platinum

1,2,3,4,5,6,7,8-octadeuterio-9-[2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-id-4-yl]carbazole;platinum (PubChem CID 171610350) has the molecular formula C70H57N5OPt-2 and a molecular weight of 1192.42 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octadeuterio-9-[2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-id-4-yl]carbazole;platinum.

Molecular Properties

• Compound Name: 1,2,3,4,5,6,7,8-octadeuterio-9-[2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-id-4-yl]carbazole;platinum
• PubChem CID: 171610350
• Molecular Formula: C70H57N5OPt-2
• Molecular Weight: 1192.42 g/mol
• Exact Mass: 1191.50
• IUPAC Name: 1,2,3,4,5,6,7,8-octadeuterio-9-[2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-id-4-yl]carbazole;platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2cccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(c(-n6c7c([2H])c([2H])c([2H])c([2H])c7c7c([2H])c([2H])c([2H])c([2H])c76)c4)c4ccccc4n5-c4cc(CC)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C70H57N5O.Pt/c1-8-46-36-37-71-66(38-46)75-61-33-17-14-28-58(61)67-64(74-59-31-15-12-26-56(59)57-27-13-16-32-60(57)74)43-53(44-65(67)75)76-52-25-20-24-51(42-52)72-45-73(63-35-19-18-34-62(63)72)68-54(47-22-10-9-11-23-47)29-21-30-55(68)48-39-49(69(2,3)4)41-50(40-48)70(5,6)7;/h9-41,43H,8H2,1-7H3;/q-2;/i9D,10D,11D,12D,13D,15D,16D,22D,23D,26D,27D,31D,32D
• InChIKey: QTJVGWMRXNCRNH-KEWBZDDTSA-N
• XLogP: 17.18
• TPSA: 40.79 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1192.42
LogP ≤ 5	17.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-id-4-yl]carbazole;platinum?

The IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-id-4-yl]carbazole;platinum (CID 171610350) is 1,2,3,4,5,6,7,8-octadeuterio-9-[2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-id-4-yl]carbazole;platinum.

What is the SMILES notation for 1,2,3,4,5,6,7,8-octadeuterio-9-[2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-id-4-yl]carbazole;platinum?

The canonical SMILES for 1,2,3,4,5,6,7,8-octadeuterio-9-[2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-id-4-yl]carbazole;platinum is [2H]c1c([2H])c([2H])c(-c2cccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(c(-n6c7c([2H])c([2H])c([2H])c([2H])c7c7c([2H])c([2H])c([2H])c([2H])c76)c4)c4ccccc4n5-c4cc(CC)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt].

What is the InChIKey of 1,2,3,4,5,6,7,8-octadeuterio-9-[2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-id-4-yl]carbazole;platinum?

The InChIKey is QTJVGWMRXNCRNH-KEWBZDDTSA-N. The full InChI is InChI=1S/C70H57N5O.Pt/c1-8-46-36-37-71-66(38-46)75-61-33-17-14-28-58(61)67-64(74-59-31-15-12-26-56(59)57-27-13-16-32-60(57)74)43-53(44-65(67)75)76-52-25-20-24-51(42-52)72-45-73(63-35-19-18-34-62(63)72)68-54(47-22-10-9-11-23-47)29-21-30-55(68)48-39-49(69(2,3)4)41-50(40-48)70(5,6)7;/h9-41,43H,8H2,1-7H3;/q-2;/i9D,10D,11D,12D,13D,15D,16D,22D,23D,26D,27D,31D,32D;.

What are the key properties of 1,2,3,4,5,6,7,8-octadeuterio-9-[2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-id-4-yl]carbazole;platinum?

1,2,3,4,5,6,7,8-octadeuterio-9-[2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-id-4-yl]carbazole;platinum has a molecular weight of 1192.42 g/mol, XLogP of 17.18, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,5,6,7,8-octadeuterio-9-[2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-id-4-yl]carbazole;platinum is sourced from PubChem (CID 171610350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).