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

C47H36FN4OPt-3 — CID 172533934

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

9-(4-ethyl-2-pyridinyl)-2-[3-[3-(3-fluorophenyl)-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 172533934) has the molecular formula C47H36FN4OPt-3 and a molecular weight of 886.91 g/mol. Its IUPAC name is 9-(4-ethyl-2-pyridinyl)-2-[3-[3-(3-fluorophenyl)-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-ethyl-2-pyridinyl)-2-[3-[3-(3-fluorophenyl)-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 172533934
• Molecular Formula: C47H36FN4OPt-3
• Molecular Weight: 886.91 g/mol
• Exact Mass: 886.25
• IUPAC Name: 9-(4-ethyl-2-pyridinyl)-2-[3-[3-(3-fluorophenyl)-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: CCc1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6cccc(F)c6)c6ccccc65)cc(-c5c(C)cc(C)cc5C)c4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C47H36FN4O.Pt/c1-5-33-19-20-49-46(23-33)52-42-14-7-6-13-40(42)41-18-17-38(28-45(41)52)53-39-25-34(47-31(3)21-30(2)22-32(47)4)24-37(27-39)51-29-50(36-12-10-11-35(48)26-36)43-15-8-9-16-44(43)51;/h6-26,29H,5H2,1-4H3;/q-3
• InChIKey: XYDAHPNDCPHZHW-UHFFFAOYSA-N
• XLogP: 12.27
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	886.91
LogP ≤ 5	12.27
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-ethyl-2-pyridinyl)-2-[3-[3-(3-fluorophenyl)-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-ethyl-2-pyridinyl)-2-[3-[3-(3-fluorophenyl)-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 172533934) is 9-(4-ethyl-2-pyridinyl)-2-[3-[3-(3-fluorophenyl)-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 9-(4-ethyl-2-pyridinyl)-2-[3-[3-(3-fluorophenyl)-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is CCc1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6cccc(F)c6)c6ccccc65)cc(-c5c(C)cc(C)cc5C)c4)ccc3c3ccccc32)c1.[Pt].

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

The InChIKey is XYDAHPNDCPHZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H36FN4O.Pt/c1-5-33-19-20-49-46(23-33)52-42-14-7-6-13-40(42)41-18-17-38(28-45(41)52)53-39-25-34(47-31(3)21-30(2)22-32(47)4)24-37(27-39)51-29-50(36-12-10-11-35(48)26-36)43-15-8-9-16-44(43)51;/h6-26,29H,5H2,1-4H3;/q-3;.

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

9-(4-ethyl-2-pyridinyl)-2-[3-[3-(3-fluorophenyl)-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 886.91 g/mol, XLogP of 12.27, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-ethyl-2-pyridinyl)-2-[3-[3-(3-fluorophenyl)-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 172533934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).