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

C54H51N4OPt-3 — CID 176783241

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-ditert-butyl-4-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 176783241) has the molecular formula C54H51N4OPt-3 and a molecular weight of 967.11 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-ditert-butyl-4-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)-2-[3-[3-(2,6-ditert-butyl-4-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 176783241
• Molecular Formula: C54H51N4OPt-3
• Molecular Weight: 967.11 g/mol
• Exact Mass: 966.37
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-ditert-butyl-4-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(C(C)(C)C)cc(-c7ccccc7)cc6C(C)(C)C)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C54H51N4O.Pt/c1-52(2,3)38-28-29-55-50(32-38)58-46-23-14-13-22-42(46)43-27-26-41(34-49(43)58)59-40-21-17-20-39(33-40)56-35-57(48-25-16-15-24-47(48)56)51-44(53(4,5)6)30-37(31-45(51)54(7,8)9)36-18-11-10-12-19-36;/h10-32,35H,1-9H3;/q-3
• InChIKey: BAIGQUJOFPUKJK-UHFFFAOYSA-N
• XLogP: 14.54
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	967.11
LogP ≤ 5	14.54
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)-2-[3-[3-(2,6-ditert-butyl-4-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)-2-[3-[3-(2,6-ditert-butyl-4-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 176783241) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-ditert-butyl-4-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)-2-[3-[3-(2,6-ditert-butyl-4-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)-2-[3-[3-(2,6-ditert-butyl-4-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(C(C)(C)C)cc(-c7ccccc7)cc6C(C)(C)C)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt].

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

The InChIKey is BAIGQUJOFPUKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H51N4O.Pt/c1-52(2,3)38-28-29-55-50(32-38)58-46-23-14-13-22-42(46)43-27-26-41(34-49(43)58)59-40-21-17-20-39(33-40)56-35-57(48-25-16-15-24-47(48)56)51-44(53(4,5)6)30-37(31-45(51)54(7,8)9)36-18-11-10-12-19-36;/h10-32,35H,1-9H3;/q-3;.

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-ditert-butyl-4-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 967.11 g/mol, XLogP of 14.54, 6 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)-2-[3-[3-(2,6-ditert-butyl-4-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 176783241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).