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-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

C66H42N4OPt-2 — CID 176754198

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-(2,6-diphenylphenyl)-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-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 176754198) has the molecular formula C66H42N4OPt-2 and a molecular weight of 1112.23 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-(2,6-diphenylphenyl)-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-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 176754198
• Molecular Formula: C66H42N4OPt-2
• Molecular Weight: 1112.23 g/mol
• Exact Mass: 1111.36
• 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-(2,6-diphenylphenyl)-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-c4ncccc4-c4c(-c5ccccc5)cccc4-c4ccccc4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C66H42N4O.Pt/c1-5-21-46(22-6-1)53-32-18-33-54(47-23-7-2-8-24-47)64(53)59-36-20-42-67-66(59)70-60-37-14-13-31-57(60)58-41-40-52(44-63(58)70)71-51-30-17-29-50(43-51)68-45-69(62-39-16-15-38-61(62)68)65-55(48-25-9-3-10-26-48)34-19-35-56(65)49-27-11-4-12-28-49;/h1-42H;/q-2;/i3D,4D,9D,10D,11D,12D,25D,26D,27D,28D
• InChIKey: AZMIPKIIWHDTNS-WQFODMQESA-N
• XLogP: 15.92
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1112.23
LogP ≤ 5	15.92
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-(2,6-diphenylphenyl)-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-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 176754198) 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-(2,6-diphenylphenyl)-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-(2,6-diphenylphenyl)-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-(2,6-diphenylphenyl)-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-c4ncccc4-c4c(-c5ccccc5)cccc4-c4ccccc4)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-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The InChIKey is AZMIPKIIWHDTNS-WQFODMQESA-N. The full InChI is InChI=1S/C66H42N4O.Pt/c1-5-21-46(22-6-1)53-32-18-33-54(47-23-7-2-8-24-47)64(53)59-36-20-42-67-66(59)70-60-37-14-13-31-57(60)58-41-40-52(44-63(58)70)71-51-30-17-29-50(43-51)68-45-69(62-39-16-15-38-61(62)68)65-55(48-25-9-3-10-26-48)34-19-35-56(65)49-27-11-4-12-28-49;/h1-42H;/q-2;/i3D,4D,9D,10D,11D,12D,25D,26D,27D,28D;.

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-(2,6-diphenylphenyl)-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-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1112.23 g/mol, XLogP of 15.92, 10 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-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 176754198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).