9-[3,6-dideuterio-4-methyl-5-(2,4,6-trimethylphenyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

C58H43N4OPt-3 — CID 169289489

About 9-[3,6-dideuterio-4-methyl-5-(2,4,6-trimethylphenyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

9-[3,6-dideuterio-4-methyl-5-(2,4,6-trimethylphenyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 169289489) has the molecular formula C58H43N4OPt-3 and a molecular weight of 1009.10 g/mol. Its IUPAC name is 9-[3,6-dideuterio-4-methyl-5-(2,4,6-trimethylphenyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-[3,6-dideuterio-4-methyl-5-(2,4,6-trimethylphenyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 169289489
• Molecular Formula: C58H43N4OPt-3
• Molecular Weight: 1009.10 g/mol
• Exact Mass: 1008.32
• IUPAC Name: 9-[3,6-dideuterio-4-methyl-5-(2,4,6-trimethylphenyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1nc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)ccc4)ccc3c3ccccc32)c([2H])c(C)c1-c1c(C)cc(C)cc1C.[Pt]
• InChI: InChI=1S/C58H43N4O.Pt/c1-38-31-40(3)57(41(4)32-38)51-36-59-56(33-39(51)2)62-52-26-12-11-23-49(52)50-30-29-46(35-55(50)62)63-45-22-15-21-44(34-45)60-37-61(54-28-14-13-27-53(54)60)58-47(42-17-7-5-8-18-42)24-16-25-48(58)43-19-9-6-10-20-43;/h5-33,36-37H,1-4H3;/q-3;/i33D,36D
• InChIKey: FRTIWLKXQVRYSY-MPCQLBCKSA-N
• XLogP: 15.21
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1009.10
LogP ≤ 5	15.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[3,6-dideuterio-4-methyl-5-(2,4,6-trimethylphenyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-[3,6-dideuterio-4-methyl-5-(2,4,6-trimethylphenyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 169289489) is 9-[3,6-dideuterio-4-methyl-5-(2,4,6-trimethylphenyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 9-[3,6-dideuterio-4-methyl-5-(2,4,6-trimethylphenyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-[3,6-dideuterio-4-methyl-5-(2,4,6-trimethylphenyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is [2H]c1nc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)ccc4)ccc3c3ccccc32)c([2H])c(C)c1-c1c(C)cc(C)cc1C.[Pt].

What is the InChIKey of 9-[3,6-dideuterio-4-methyl-5-(2,4,6-trimethylphenyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The InChIKey is FRTIWLKXQVRYSY-MPCQLBCKSA-N. The full InChI is InChI=1S/C58H43N4O.Pt/c1-38-31-40(3)57(41(4)32-38)51-36-59-56(33-39(51)2)62-52-26-12-11-23-49(52)50-30-29-46(35-55(50)62)63-45-22-15-21-44(34-45)60-37-61(54-28-14-13-27-53(54)60)58-47(42-17-7-5-8-18-42)24-16-25-48(58)43-19-9-6-10-20-43;/h5-33,36-37H,1-4H3;/q-3;/i33D,36D;.

What are the key properties of 9-[3,6-dideuterio-4-methyl-5-(2,4,6-trimethylphenyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

9-[3,6-dideuterio-4-methyl-5-(2,4,6-trimethylphenyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1009.10 g/mol, XLogP of 15.21, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3,6-dideuterio-4-methyl-5-(2,4,6-trimethylphenyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 169289489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).