9-(4-tert-butyl-2-pyridinyl)-5,6-dipropyl-2-[3-[3-[3,4,5-trideuterio-2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

C66H67N4OPt-3 — CID 177128607

About 9-(4-tert-butyl-2-pyridinyl)-5,6-dipropyl-2-[3-[3-[3,4,5-trideuterio-2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

9-(4-tert-butyl-2-pyridinyl)-5,6-dipropyl-2-[3-[3-[3,4,5-trideuterio-2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 177128607) has the molecular formula C66H67N4OPt-3 and a molecular weight of 1130.39 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-5,6-dipropyl-2-[3-[3-[3,4,5-trideuterio-2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-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-2-pyridinyl)-5,6-dipropyl-2-[3-[3-[3,4,5-trideuterio-2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 177128607
• Molecular Formula: C66H67N4OPt-3
• Molecular Weight: 1130.39 g/mol
• Exact Mass: 1129.52
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-5,6-dipropyl-2-[3-[3-[3,4,5-trideuterio-2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1c([2H])c(-c2ccccc2)c(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4c(CCC)c(CCC)ccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1[2H].[Pt]
• InChI: InChI=1S/C66H67N4O.Pt/c1-12-21-44-31-34-59-62(53(44)22-13-2)56-33-32-52(42-60(56)70(59)61-40-47(35-36-67-61)64(3,4)5)71-51-26-19-25-50(41-51)68-43-69(58-30-18-17-29-57(58)68)63-54(45-23-15-14-16-24-45)27-20-28-55(63)46-37-48(65(6,7)8)39-49(38-46)66(9,10)11;/h14-20,23-40,43H,12-13,21-22H2,1-11H3;/q-3;/i20D,27D,28D
• InChIKey: SRCNTLYMAXRECF-LSZXRSPCSA-N
• XLogP: 18.11
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1130.39
LogP ≤ 5	18.11
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-2-pyridinyl)-5,6-dipropyl-2-[3-[3-[3,4,5-trideuterio-2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-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-2-pyridinyl)-5,6-dipropyl-2-[3-[3-[3,4,5-trideuterio-2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 177128607) is 9-(4-tert-butyl-2-pyridinyl)-5,6-dipropyl-2-[3-[3-[3,4,5-trideuterio-2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-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-2-pyridinyl)-5,6-dipropyl-2-[3-[3-[3,4,5-trideuterio-2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-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-2-pyridinyl)-5,6-dipropyl-2-[3-[3-[3,4,5-trideuterio-2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is [2H]c1c([2H])c(-c2ccccc2)c(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4c(CCC)c(CCC)ccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1[2H].[Pt].

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

The InChIKey is SRCNTLYMAXRECF-LSZXRSPCSA-N. The full InChI is InChI=1S/C66H67N4O.Pt/c1-12-21-44-31-34-59-62(53(44)22-13-2)56-33-32-52(42-60(56)70(59)61-40-47(35-36-67-61)64(3,4)5)71-51-26-19-25-50(41-51)68-43-69(58-30-18-17-29-57(58)68)63-54(45-23-15-14-16-24-45)27-20-28-55(63)46-37-48(65(6,7)8)39-49(38-46)66(9,10)11;/h14-20,23-40,43H,12-13,21-22H2,1-11H3;/q-3;/i20D,27D,28D;.

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

9-(4-tert-butyl-2-pyridinyl)-5,6-dipropyl-2-[3-[3-[3,4,5-trideuterio-2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1130.39 g/mol, XLogP of 18.11, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-5,6-dipropyl-2-[3-[3-[3,4,5-trideuterio-2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 177128607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).