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-(3,4,6-trimethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

C51H36N4OPt-2 — CID 176754240

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-(3,4,6-trimethyl-2-pyridinyl)-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-(3,4,6-trimethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 176754240) has the molecular formula C51H36N4OPt-2 and a molecular weight of 926.02 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-(3,4,6-trimethyl-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-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(3,4,6-trimethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 176754240
• Molecular Formula: C51H36N4OPt-2
• Molecular Weight: 926.02 g/mol
• Exact Mass: 925.32
• 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-(3,4,6-trimethyl-2-pyridinyl)-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-c4nc(C)cc(C)c4C)ccc3)c3ccccc32)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C51H36N4O.Pt/c1-34-30-35(2)52-51(36(34)3)55-46-25-11-10-22-44(46)45-29-28-41(32-49(45)55)56-40-21-14-20-39(31-40)53-33-54(48-27-13-12-26-47(48)53)50-42(37-16-6-4-7-17-37)23-15-24-43(50)38-18-8-5-9-19-38;/h4-30H,1-3H3;/q-2;/i4D,5D,6D,7D,8D,9D,16D,17D,18D,19D
• InChIKey: BJTZIIOYXXQWDI-KTNRDZRVSA-N
• XLogP: 11.85
• 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	926.02
LogP ≤ 5	11.85
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-(3,4,6-trimethyl-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-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(3,4,6-trimethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 176754240) 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-(3,4,6-trimethyl-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-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(3,4,6-trimethyl-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-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(3,4,6-trimethyl-2-pyridinyl)-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-c4nc(C)cc(C)c4C)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-(3,4,6-trimethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The InChIKey is BJTZIIOYXXQWDI-KTNRDZRVSA-N. The full InChI is InChI=1S/C51H36N4O.Pt/c1-34-30-35(2)52-51(36(34)3)55-46-25-11-10-22-44(46)45-29-28-41(32-49(45)55)56-40-21-14-20-39(31-40)53-33-54(48-27-13-12-26-47(48)53)50-42(37-16-6-4-7-17-37)23-15-24-43(50)38-18-8-5-9-19-38;/h4-30H,1-3H3;/q-2;/i4D,5D,6D,7D,8D,9D,16D,17D,18D,19D;.

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-(3,4,6-trimethyl-2-pyridinyl)-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-(3,4,6-trimethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 926.02 g/mol, XLogP of 11.85, 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-(3,4,6-trimethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 176754240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).