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

C52H38N4OPt-2 — CID 162468741

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

2-[5-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-2,3,4-trideuteriobenzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 162468741) has the molecular formula C52H38N4OPt-2 and a molecular weight of 943.06 g/mol. Its IUPAC name is 2-[5-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-2,3,4-trideuteriobenzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[5-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-2,3,4-trideuteriobenzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 162468741
• Molecular Formula: C52H38N4OPt-2
• Molecular Weight: 943.06 g/mol
• Exact Mass: 942.35
• IUPAC Name: 2-[5-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-2,3,4-trideuteriobenzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(-n2[c-][n+](-c3c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])cccc3-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3ccccc32)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C52H38N4O.Pt/c1-52(2,3)38-30-31-53-50(32-38)56-46-25-11-10-22-44(46)45-29-28-41(34-49(45)56)57-40-21-14-20-39(33-40)54-35-55(48-27-13-12-26-47(48)54)51-42(36-16-6-4-7-17-36)23-15-24-43(51)37-18-8-5-9-19-37;/h4-32H,1-3H3;/q-2;/i4D,5D,6D,7D,8D,9D,14D,16D,17D,18D,19D,20D,21D
• InChIKey: KRLVLMQYKPUIDW-CVAXEBJXSA-N
• XLogP: 12.22
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	943.06
LogP ≤ 5	12.22
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-[5-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-2,3,4-trideuteriobenzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[5-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-2,3,4-trideuteriobenzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 162468741) is 2-[5-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-2,3,4-trideuteriobenzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[5-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-2,3,4-trideuteriobenzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is [2H]c1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(-n2[c-][n+](-c3c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])cccc3-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3ccccc32)c([2H])c1[2H].[Pt].

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

The InChIKey is KRLVLMQYKPUIDW-CVAXEBJXSA-N. The full InChI is InChI=1S/C52H38N4O.Pt/c1-52(2,3)38-30-31-53-50(32-38)56-46-25-11-10-22-44(46)45-29-28-41(34-49(45)56)57-40-21-14-20-39(33-40)54-35-55(48-27-13-12-26-47(48)54)51-42(36-16-6-4-7-17-36)23-15-24-43(51)37-18-8-5-9-19-37;/h4-32H,1-3H3;/q-2;/i4D,5D,6D,7D,8D,9D,14D,16D,17D,18D,19D,20D,21D;.

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

2-[5-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-2,3,4-trideuteriobenzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 943.06 g/mol, XLogP of 12.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-2,3,4-trideuteriobenzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162468741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).