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

C64H46FN4OPt-3 — CID 172531232

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(4-fluorophenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]-5-(4-phenylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 172531232) has the molecular formula C64H46FN4OPt-3 and a molecular weight of 1101.17 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(4-fluorophenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]-5-(4-phenylphenyl)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-(4-fluorophenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]-5-(4-phenylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 172531232
• Molecular Formula: C64H46FN4OPt-3
• Molecular Weight: 1101.17 g/mol
• Exact Mass: 1100.33
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(4-fluorophenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]-5-(4-phenylphenyl)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(-c7ccccc7)cccc6-c6ccc(F)cc6)c6ccccc65)cc(-c5ccc(-c6ccccc6)cc5)c4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C64H46FN4O.Pt/c1-64(2,3)49-35-36-66-62(39-49)69-58-22-11-10-19-56(58)57-34-33-52(41-61(57)69)70-53-38-48(45-27-25-44(26-28-45)43-15-6-4-7-16-43)37-51(40-53)67-42-68(60-24-13-12-23-59(60)67)63-54(46-17-8-5-9-18-46)20-14-21-55(63)47-29-31-50(65)32-30-47;/h4-39,42H,1-3H3;/q-3
• InChIKey: GDLVOJAIIIBZQA-UHFFFAOYSA-N
• XLogP: 17.08
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1101.17
LogP ≤ 5	17.08
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-(4-fluorophenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]-5-(4-phenylphenyl)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-(4-fluorophenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]-5-(4-phenylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 172531232) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(4-fluorophenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]-5-(4-phenylphenyl)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-(4-fluorophenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]-5-(4-phenylphenyl)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-(4-fluorophenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]-5-(4-phenylphenyl)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(-c7ccccc7)cccc6-c6ccc(F)cc6)c6ccccc65)cc(-c5ccc(-c6ccccc6)cc5)c4)ccc3c3ccccc32)c1.[Pt].

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

The InChIKey is GDLVOJAIIIBZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H46FN4O.Pt/c1-64(2,3)49-35-36-66-62(39-49)69-58-22-11-10-19-56(58)57-34-33-52(41-61(57)69)70-53-38-48(45-27-25-44(26-28-45)43-15-6-4-7-16-43)37-51(40-53)67-42-68(60-24-13-12-23-59(60)67)63-54(46-17-8-5-9-18-46)20-14-21-55(63)47-29-31-50(65)32-30-47;/h4-39,42H,1-3H3;/q-3;.

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(4-fluorophenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]-5-(4-phenylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1101.17 g/mol, XLogP of 17.08, 9 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-(4-fluorophenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]-5-(4-phenylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 172531232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).