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

C66H59N4OPt-3 — CID 168780750

About 9-(4-tert-butyl-5-phenyl-2-pyridinyl)-2-[3-[3-[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-5-phenyl-2-pyridinyl)-2-[3-[3-[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 168780750) has the molecular formula C66H59N4OPt-3 and a molecular weight of 1119.30 g/mol. Its IUPAC name is 9-(4-tert-butyl-5-phenyl-2-pyridinyl)-2-[3-[3-[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-5-phenyl-2-pyridinyl)-2-[3-[3-[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: 168780750
• Molecular Formula: C66H59N4OPt-3
• Molecular Weight: 1119.30 g/mol
• Exact Mass: 1118.44
• IUPAC Name: 9-(4-tert-butyl-5-phenyl-2-pyridinyl)-2-[3-[3-[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: CC(C)(C)c1cc(-c2cccc(-c3ccccc3)c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)c(-c5ccccc5)cn4)ccc3)c3ccccc32)cc(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C66H59N4O.Pt/c1-64(2,3)47-36-46(37-48(38-47)65(4,5)6)53-30-21-29-52(44-22-12-10-13-23-44)63(53)69-43-68(59-32-18-19-33-60(59)69)49-26-20-27-50(39-49)71-51-34-35-55-54-28-16-17-31-58(54)70(61(55)40-51)62-41-57(66(7,8)9)56(42-67-62)45-24-14-11-15-25-45;/h10-38,41-43H,1-9H3;/q-3
• InChIKey: JDQWLJITPRYIFF-UHFFFAOYSA-N
• XLogP: 17.87
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1119.30
LogP ≤ 5	17.87
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-5-phenyl-2-pyridinyl)-2-[3-[3-[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-5-phenyl-2-pyridinyl)-2-[3-[3-[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 168780750) is 9-(4-tert-butyl-5-phenyl-2-pyridinyl)-2-[3-[3-[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-5-phenyl-2-pyridinyl)-2-[3-[3-[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-5-phenyl-2-pyridinyl)-2-[3-[3-[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 CC(C)(C)c1cc(-c2cccc(-c3ccccc3)c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)c(-c5ccccc5)cn4)ccc3)c3ccccc32)cc(C(C)(C)C)c1.[Pt].

What is the InChIKey of 9-(4-tert-butyl-5-phenyl-2-pyridinyl)-2-[3-[3-[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 JDQWLJITPRYIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H59N4O.Pt/c1-64(2,3)47-36-46(37-48(38-47)65(4,5)6)53-30-21-29-52(44-22-12-10-13-23-44)63(53)69-43-68(59-32-18-19-33-60(59)69)49-26-20-27-50(39-49)71-51-34-35-55-54-28-16-17-31-58(54)70(61(55)40-51)62-41-57(66(7,8)9)56(42-67-62)45-24-14-11-15-25-45;/h10-38,41-43H,1-9H3;/q-3;.

What are the key properties of 9-(4-tert-butyl-5-phenyl-2-pyridinyl)-2-[3-[3-[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-5-phenyl-2-pyridinyl)-2-[3-[3-[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 1119.30 g/mol, XLogP of 17.87, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-5-phenyl-2-pyridinyl)-2-[3-[3-[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 168780750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).