3,4,5,6,7,8-hexadeuterio-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-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

C62H58N4OPt-2 — CID 171610466

About 3,4,5,6,7,8-hexadeuterio-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-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

3,4,5,6,7,8-hexadeuterio-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-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 171610466) has the molecular formula C62H58N4OPt-2 and a molecular weight of 1081.32 g/mol. Its IUPAC name is 3,4,5,6,7,8-hexadeuterio-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-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 3,4,5,6,7,8-hexadeuterio-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-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 171610466
• Molecular Formula: C62H58N4OPt-2
• Molecular Weight: 1081.32 g/mol
• Exact Mass: 1080.50
• IUPAC Name: 3,4,5,6,7,8-hexadeuterio-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-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;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([2H])c4[2H])c4c([2H])c([2H])c([2H])c([2H])c4n5-c4cc(C(C)C(C)(C)C)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C62H58N4O.Pt/c1-41(60(2,3)4)43-32-33-63-58(36-43)66-54-27-15-14-24-52(54)53-31-30-49(39-57(53)66)67-48-23-18-22-47(38-48)64-40-65(56-29-17-16-28-55(56)64)59-50(42-20-12-11-13-21-42)25-19-26-51(59)44-34-45(61(5,6)7)37-46(35-44)62(8,9)10;/h11-37,41H,1-10H3;/q-2;/i11D,12D,13D,14D,15D,20D,21D,24D,27D,30D,31D
• InChIKey: ANBHVBYDGCPWLC-ZMDZUTJHSA-N
• XLogP: 15.67
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1081.32
LogP ≤ 5	15.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 3,4,5,6,7,8-hexadeuterio-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-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 3,4,5,6,7,8-hexadeuterio-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-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 171610466) is 3,4,5,6,7,8-hexadeuterio-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-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 3,4,5,6,7,8-hexadeuterio-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-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The canonical SMILES for 3,4,5,6,7,8-hexadeuterio-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-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;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([2H])c4[2H])c4c([2H])c([2H])c([2H])c([2H])c4n5-c4cc(C(C)C(C)(C)C)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt].

What is the InChIKey of 3,4,5,6,7,8-hexadeuterio-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-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The InChIKey is ANBHVBYDGCPWLC-ZMDZUTJHSA-N. The full InChI is InChI=1S/C62H58N4O.Pt/c1-41(60(2,3)4)43-32-33-63-58(36-43)66-54-27-15-14-24-52(54)53-31-30-49(39-57(53)66)67-48-23-18-22-47(38-48)64-40-65(56-29-17-16-28-55(56)64)59-50(42-20-12-11-13-21-42)25-19-26-51(59)44-34-45(61(5,6)7)37-46(35-44)62(8,9)10;/h11-37,41H,1-10H3;/q-2;/i11D,12D,13D,14D,15D,20D,21D,24D,27D,30D,31D;.

What are the key properties of 3,4,5,6,7,8-hexadeuterio-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-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

3,4,5,6,7,8-hexadeuterio-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-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1081.32 g/mol, XLogP of 15.67, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4,5,6,7,8-hexadeuterio-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-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 171610466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).