9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-2-[3-[3-[4-methyl-2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,6-tetradeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

C53H41N4OPt-3 — CID 169289522

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

9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-2-[3-[3-[4-methyl-2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,6-tetradeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 169289522) has the molecular formula C53H41N4OPt-3 and a molecular weight of 957.09 g/mol. Its IUPAC name is 9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-2-[3-[3-[4-methyl-2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,6-tetradeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-2-[3-[3-[4-methyl-2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,6-tetradeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 169289522
• Molecular Formula: C53H41N4OPt-3
• Molecular Weight: 957.09 g/mol
• Exact Mass: 956.37
• IUPAC Name: 9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-2-[3-[3-[4-methyl-2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,6-tetradeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1cc([2H])c(-c2cc(C)cc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4nc([2H])c([2H])c(C(C)(C)C)c4[2H])ccc3)c3ccccc32)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C53H41N4O.Pt/c1-36-30-45(37-16-7-5-8-17-37)52(46(31-36)38-18-9-6-10-19-38)56-35-55(48-24-13-14-25-49(48)56)40-20-15-21-41(33-40)58-42-26-27-44-43-22-11-12-23-47(43)57(50(44)34-42)51-32-39(28-29-54-51)53(2,3)4;/h5-32,35H,1-4H3;/q-3;/i5D,6D,7D,8D,9D,16D,17D,18D,19D,28D,29D,32D
• InChIKey: AMYGIYIEWGFUIL-QOFMKABGSA-N
• XLogP: 13.92
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	957.09
LogP ≤ 5	13.92
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-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-2-[3-[3-[4-methyl-2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,6-tetradeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-2-[3-[3-[4-methyl-2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,6-tetradeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 169289522) is 9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-2-[3-[3-[4-methyl-2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,6-tetradeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-2-[3-[3-[4-methyl-2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,6-tetradeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is [2H]c1cc([2H])c(-c2cc(C)cc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4nc([2H])c([2H])c(C(C)(C)C)c4[2H])ccc3)c3ccccc32)c([2H])c1[2H].[Pt].

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

The InChIKey is AMYGIYIEWGFUIL-QOFMKABGSA-N. The full InChI is InChI=1S/C53H41N4O.Pt/c1-36-30-45(37-16-7-5-8-17-37)52(46(31-36)38-18-9-6-10-19-38)56-35-55(48-24-13-14-25-49(48)56)40-20-15-21-41(33-40)58-42-26-27-44-43-22-11-12-23-47(43)57(50(44)34-42)51-32-39(28-29-54-51)53(2,3)4;/h5-32,35H,1-4H3;/q-3;/i5D,6D,7D,8D,9D,16D,17D,18D,19D,28D,29D,32D;.

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

9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-2-[3-[3-[4-methyl-2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,6-tetradeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 957.09 g/mol, XLogP of 13.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-2-[3-[3-[4-methyl-2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,6-tetradeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 169289522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).