2-[3-[3-[4-(2-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum

C66H58FN4OPt-3 — CID 172534295

About 2-[3-[3-[4-(2-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum

2-[3-[3-[4-(2-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (PubChem CID 172534295) has the molecular formula C66H58FN4OPt-3 and a molecular weight of 1137.29 g/mol. Its IUPAC name is 2-[3-[3-[4-(2-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[4-(2-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• PubChem CID: 172534295
• Molecular Formula: C66H58FN4OPt-3
• Molecular Weight: 1137.29 g/mol
• Exact Mass: 1136.43
• IUPAC Name: 2-[3-[3-[4-(2-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• SMILES: CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)[c-]c(N2[CH-]N(c3c(C(C)C)cc(-c4ccccc4F)cc3C(C)C)c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C66H58FN4O.Pt/c1-41(2)55-34-46(45-20-10-9-11-21-45)35-56(42(3)4)65(55)48-32-49(38-51(33-48)72-50-29-30-54-53-23-13-15-25-60(53)71(63(54)39-50)64-28-18-19-31-68-64)69-40-70(62-27-17-16-26-61(62)69)66-57(43(5)6)36-47(37-58(66)44(7)8)52-22-12-14-24-59(52)67;/h9-37,40-44H,1-8H3;/q-3
• InChIKey: WZCQWZDXQKQBEM-UHFFFAOYSA-N
• XLogP: 18.61
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1137.29
LogP ≤ 5	18.61
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 2-[3-[3-[4-(2-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[4-(2-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (CID 172534295) is 2-[3-[3-[4-(2-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-[3-[4-(2-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[3-[4-(2-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)[c-]c(N2[CH-]N(c3c(C(C)C)cc(-c4ccccc4F)cc3C(C)C)c3ccccc32)c1.[Pt].

What is the InChIKey of 2-[3-[3-[4-(2-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The InChIKey is WZCQWZDXQKQBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H58FN4O.Pt/c1-41(2)55-34-46(45-20-10-9-11-21-45)35-56(42(3)4)65(55)48-32-49(38-51(33-48)72-50-29-30-54-53-23-13-15-25-60(53)71(63(54)39-50)64-28-18-19-31-68-64)69-40-70(62-27-17-16-26-61(62)69)66-57(43(5)6)36-47(37-58(66)44(7)8)52-22-12-14-24-59(52)67;/h9-37,40-44H,1-8H3;/q-3;.

What are the key properties of 2-[3-[3-[4-(2-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

2-[3-[3-[4-(2-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum has a molecular weight of 1137.29 g/mol, XLogP of 18.61, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[4-(2-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 172534295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).