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

C56H39N4OPt-3 — CID 168780484

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

9-[4-methyl-5-(4-methylphenyl)-2-pyridinyl]-2-[2,3,4-trideuterio-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 168780484) has the molecular formula C56H39N4OPt-3 and a molecular weight of 982.05 g/mol. Its IUPAC name is 9-[4-methyl-5-(4-methylphenyl)-2-pyridinyl]-2-[2,3,4-trideuterio-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-[4-methyl-5-(4-methylphenyl)-2-pyridinyl]-2-[2,3,4-trideuterio-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 168780484
• Molecular Formula: C56H39N4OPt-3
• Molecular Weight: 982.05 g/mol
• Exact Mass: 981.30
• IUPAC Name: 9-[4-methyl-5-(4-methylphenyl)-2-pyridinyl]-2-[2,3,4-trideuterio-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)c(-c3ccc(C)cc3)cn2)[c-]c(N2[CH-]N(c3c(-c4ccccc4)cccc3-c3ccccc3)c3ccccc32)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C56H39N4O.Pt/c1-38-27-29-42(30-28-38)50-36-57-55(33-39(50)2)60-51-24-10-9-21-48(51)49-32-31-45(35-54(49)60)61-44-20-13-19-43(34-44)58-37-59(53-26-12-11-25-52(53)58)56-46(40-15-5-3-6-16-40)22-14-23-47(56)41-17-7-4-8-18-41;/h3-33,36-37H,1-2H3;/q-3;/i13D,19D,20D
• InChIKey: ORDZCGRSZHQALT-ZGTJUKIISA-N
• XLogP: 14.60
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	982.05
LogP ≤ 5	14.60
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-[4-methyl-5-(4-methylphenyl)-2-pyridinyl]-2-[2,3,4-trideuterio-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-[4-methyl-5-(4-methylphenyl)-2-pyridinyl]-2-[2,3,4-trideuterio-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 168780484) is 9-[4-methyl-5-(4-methylphenyl)-2-pyridinyl]-2-[2,3,4-trideuterio-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 9-[4-methyl-5-(4-methylphenyl)-2-pyridinyl]-2-[2,3,4-trideuterio-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum is [2H]c1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)c(-c3ccc(C)cc3)cn2)[c-]c(N2[CH-]N(c3c(-c4ccccc4)cccc3-c3ccccc3)c3ccccc32)c([2H])c1[2H].[Pt].

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

The InChIKey is ORDZCGRSZHQALT-ZGTJUKIISA-N. The full InChI is InChI=1S/C56H39N4O.Pt/c1-38-27-29-42(30-28-38)50-36-57-55(33-39(50)2)60-51-24-10-9-21-48(51)49-32-31-45(35-54(49)60)61-44-20-13-19-43(34-44)58-37-59(53-26-12-11-25-52(53)58)56-46(40-15-5-3-6-16-40)22-14-23-47(56)41-17-7-4-8-18-41;/h3-33,36-37H,1-2H3;/q-3;/i13D,19D,20D;.

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

9-[4-methyl-5-(4-methylphenyl)-2-pyridinyl]-2-[2,3,4-trideuterio-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 982.05 g/mol, XLogP of 14.60, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-methyl-5-(4-methylphenyl)-2-pyridinyl]-2-[2,3,4-trideuterio-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 168780484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).