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

C61H48FN4OPt-3 — CID 172531647

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(4-fluorophenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-propan-2-ylphenyl)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-(2-propan-2-ylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 172531647) has the molecular formula C61H48FN4OPt-3 and a molecular weight of 1067.16 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-(2-propan-2-ylphenyl)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-(2-propan-2-ylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 172531647
• Molecular Formula: C61H48FN4OPt-3
• Molecular Weight: 1067.16 g/mol
• Exact Mass: 1066.35
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(4-fluorophenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-propan-2-ylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: CC(C)c1ccccc1-c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3c(-c4ccccc4)cccc3-c3ccc(F)cc3)c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C61H48FN4O.Pt/c1-40(2)49-18-9-10-19-50(49)43-34-46(37-48(35-43)67-47-30-31-54-53-20-11-12-23-55(53)66(58(54)38-47)59-36-44(32-33-63-59)61(3,4)5)64-39-65(57-25-14-13-24-56(57)64)60-51(41-16-7-6-8-17-41)21-15-22-52(60)42-26-28-45(62)29-27-42;/h6-36,39-40H,1-5H3;/q-3
• InChIKey: ZHEBHRQYXNWUMD-UHFFFAOYSA-N
• XLogP: 16.54
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1067.16
LogP ≤ 5	16.54
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-(4-fluorophenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-propan-2-ylphenyl)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-(2-propan-2-ylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 172531647) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(4-fluorophenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-propan-2-ylphenyl)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-(2-propan-2-ylphenyl)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-(2-propan-2-ylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is CC(C)c1ccccc1-c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3c(-c4ccccc4)cccc3-c3ccc(F)cc3)c3ccccc32)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-(2-propan-2-ylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The InChIKey is ZHEBHRQYXNWUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H48FN4O.Pt/c1-40(2)49-18-9-10-19-50(49)43-34-46(37-48(35-43)67-47-30-31-54-53-20-11-12-23-55(53)66(58(54)38-47)59-36-44(32-33-63-59)61(3,4)5)64-39-65(57-25-14-13-24-56(57)64)60-51(41-16-7-6-8-17-41)21-15-22-52(60)42-26-28-45(62)29-27-42;/h6-36,39-40H,1-5H3;/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-(2-propan-2-ylphenyl)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-(2-propan-2-ylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1067.16 g/mol, XLogP of 16.54, 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-(2-propan-2-ylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 172531647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).