2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(5,5,6,6,7,7-hexadeuteriocyclopenta[c]pyridin-3-yl)-1H-carbazol-1-ide;platinum

C51H34N4OPt-2 — CID 171731651

About 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(5,5,6,6,7,7-hexadeuteriocyclopenta[c]pyridin-3-yl)-1H-carbazol-1-ide;platinum

2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(5,5,6,6,7,7-hexadeuteriocyclopenta[c]pyridin-3-yl)-1H-carbazol-1-ide;platinum (PubChem CID 171731651) has the molecular formula C51H34N4OPt-2 and a molecular weight of 930.04 g/mol. Its IUPAC name is 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(5,5,6,6,7,7-hexadeuteriocyclopenta[c]pyridin-3-yl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(5,5,6,6,7,7-hexadeuteriocyclopenta[c]pyridin-3-yl)-1H-carbazol-1-ide;platinum
• PubChem CID: 171731651
• Molecular Formula: C51H34N4OPt-2
• Molecular Weight: 930.04 g/mol
• Exact Mass: 929.34
• IUPAC Name: 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(5,5,6,6,7,7-hexadeuteriocyclopenta[c]pyridin-3-yl)-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc5c(cn4)C([2H])([2H])C([2H])([2H])C5([2H])[2H])ccc3)c3ccccc32)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C51H34N4O.Pt/c1-3-14-35(15-4-1)42-23-13-24-43(36-16-5-2-6-17-36)51(42)54-34-53(47-26-9-10-27-48(47)54)39-20-12-21-40(31-39)56-41-28-29-45-44-22-7-8-25-46(44)55(49(45)32-41)50-30-37-18-11-19-38(37)33-52-50;/h1-10,12-17,20-30,33H,11,18-19H2;/q-2;/i1D,2D,3D,4D,5D,6D,11D2,14D,15D,16D,17D,18D2,19D2
• InChIKey: GMZFYCADDHWVGC-JJQSJDQUSA-N
• XLogP: 11.41
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	930.04
LogP ≤ 5	11.41
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 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(5,5,6,6,7,7-hexadeuteriocyclopenta[c]pyridin-3-yl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(5,5,6,6,7,7-hexadeuteriocyclopenta[c]pyridin-3-yl)-1H-carbazol-1-ide;platinum (CID 171731651) is 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(5,5,6,6,7,7-hexadeuteriocyclopenta[c]pyridin-3-yl)-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-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(5,5,6,6,7,7-hexadeuteriocyclopenta[c]pyridin-3-yl)-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(5,5,6,6,7,7-hexadeuteriocyclopenta[c]pyridin-3-yl)-1H-carbazol-1-ide;platinum is [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc5c(cn4)C([2H])([2H])C([2H])([2H])C5([2H])[2H])ccc3)c3ccccc32)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-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(5,5,6,6,7,7-hexadeuteriocyclopenta[c]pyridin-3-yl)-1H-carbazol-1-ide;platinum?

The InChIKey is GMZFYCADDHWVGC-JJQSJDQUSA-N. The full InChI is InChI=1S/C51H34N4O.Pt/c1-3-14-35(15-4-1)42-23-13-24-43(36-16-5-2-6-17-36)51(42)54-34-53(47-26-9-10-27-48(47)54)39-20-12-21-40(31-39)56-41-28-29-45-44-22-7-8-25-46(44)55(49(45)32-41)50-30-37-18-11-19-38(37)33-52-50;/h1-10,12-17,20-30,33H,11,18-19H2;/q-2;/i1D,2D,3D,4D,5D,6D,11D2,14D,15D,16D,17D,18D2,19D2;.

What are the key properties of 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(5,5,6,6,7,7-hexadeuteriocyclopenta[c]pyridin-3-yl)-1H-carbazol-1-ide;platinum?

2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(5,5,6,6,7,7-hexadeuteriocyclopenta[c]pyridin-3-yl)-1H-carbazol-1-ide;platinum has a molecular weight of 930.04 g/mol, XLogP of 11.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 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-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(5,5,6,6,7,7-hexadeuteriocyclopenta[c]pyridin-3-yl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 171731651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).