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

C66H59N4OPt-3 — CID 164727151

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

6-tert-butyl-9-[5-(3-tert-butylphenyl)-4-(2-methylpropyl)-2-pyridinyl]-2-[3-[3-(3,5-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 164727151) has the molecular formula C66H59N4OPt-3 and a molecular weight of 1119.30 g/mol. Its IUPAC name is 6-tert-butyl-9-[5-(3-tert-butylphenyl)-4-(2-methylpropyl)-2-pyridinyl]-2-[3-[3-(3,5-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 6-tert-butyl-9-[5-(3-tert-butylphenyl)-4-(2-methylpropyl)-2-pyridinyl]-2-[3-[3-(3,5-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 164727151
• Molecular Formula: C66H59N4OPt-3
• Molecular Weight: 1119.30 g/mol
• Exact Mass: 1118.44
• IUPAC Name: 6-tert-butyl-9-[5-(3-tert-butylphenyl)-4-(2-methylpropyl)-2-pyridinyl]-2-[3-[3-(3,5-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: CC(C)Cc1cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c6ccccc65)ccc4)ccc3c3cc(C(C)(C)C)ccc32)ncc1-c1cccc(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C66H59N4O.Pt/c1-44(2)33-50-38-64(67-42-59(50)47-23-17-24-51(35-47)65(3,4)5)70-60-32-29-52(66(6,7)8)39-58(60)57-31-30-56(41-63(57)70)71-55-26-18-25-53(40-55)68-43-69(62-28-16-15-27-61(62)68)54-36-48(45-19-11-9-12-20-45)34-49(37-54)46-21-13-10-14-22-46;/h9-32,34-39,42-44H,33H2,1-8H3;/q-3
• InChIKey: QHGOAKWPMWPBJB-UHFFFAOYSA-N
• XLogP: 17.77
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1119.30
LogP ≤ 5	17.77
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 6-tert-butyl-9-[5-(3-tert-butylphenyl)-4-(2-methylpropyl)-2-pyridinyl]-2-[3-[3-(3,5-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 6-tert-butyl-9-[5-(3-tert-butylphenyl)-4-(2-methylpropyl)-2-pyridinyl]-2-[3-[3-(3,5-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 164727151) is 6-tert-butyl-9-[5-(3-tert-butylphenyl)-4-(2-methylpropyl)-2-pyridinyl]-2-[3-[3-(3,5-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 6-tert-butyl-9-[5-(3-tert-butylphenyl)-4-(2-methylpropyl)-2-pyridinyl]-2-[3-[3-(3,5-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is CC(C)Cc1cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c6ccccc65)ccc4)ccc3c3cc(C(C)(C)C)ccc32)ncc1-c1cccc(C(C)(C)C)c1.[Pt].

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

The InChIKey is QHGOAKWPMWPBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H59N4O.Pt/c1-44(2)33-50-38-64(67-42-59(50)47-23-17-24-51(35-47)65(3,4)5)70-60-32-29-52(66(6,7)8)39-58(60)57-31-30-56(41-63(57)70)71-55-26-18-25-53(40-55)68-43-69(62-28-16-15-27-61(62)68)54-36-48(45-19-11-9-12-20-45)34-49(37-54)46-21-13-10-14-22-46;/h9-32,34-39,42-44H,33H2,1-8H3;/q-3;.

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

6-tert-butyl-9-[5-(3-tert-butylphenyl)-4-(2-methylpropyl)-2-pyridinyl]-2-[3-[3-(3,5-diphenylphenyl)-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 17.77, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-9-[5-(3-tert-butylphenyl)-4-(2-methylpropyl)-2-pyridinyl]-2-[3-[3-(3,5-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 164727151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).