9-(4-ethyl-2-pyridinyl)-2-[3-[3-(3-fluorophenyl)-2H-benzimidazol-2-id-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

C41H32FN4OPt-3 — CID 172534125

About 9-(4-ethyl-2-pyridinyl)-2-[3-[3-(3-fluorophenyl)-2H-benzimidazol-2-id-1-yl]-5-propan-2-ylbenzene-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-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 172534125) has the molecular formula C41H32FN4OPt-3 and a molecular weight of 810.81 g/mol. Its IUPAC name is 9-(4-ethyl-2-pyridinyl)-2-[3-[3-(3-fluorophenyl)-2H-benzimidazol-2-id-1-yl]-5-propan-2-ylbenzene-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-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 172534125
• Molecular Formula: C41H32FN4OPt-3
• Molecular Weight: 810.81 g/mol
• Exact Mass: 810.22
• IUPAC Name: 9-(4-ethyl-2-pyridinyl)-2-[3-[3-(3-fluorophenyl)-2H-benzimidazol-2-id-1-yl]-5-propan-2-ylbenzene-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(C(C)C)c4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C41H32FN4O.Pt/c1-4-28-18-19-43-41(20-28)46-37-13-6-5-12-35(37)36-17-16-33(25-40(36)46)47-34-22-29(27(2)3)21-32(24-34)45-26-44(31-11-9-10-30(42)23-31)38-14-7-8-15-39(38)45;/h5-23,26-27H,4H2,1-3H3;/q-3
• InChIKey: WLNJMNYTAMLFFJ-UHFFFAOYSA-N
• XLogP: 10.80
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	810.81
LogP ≤ 5	10.80
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-propan-2-ylbenzene-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-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 172534125) is 9-(4-ethyl-2-pyridinyl)-2-[3-[3-(3-fluorophenyl)-2H-benzimidazol-2-id-1-yl]-5-propan-2-ylbenzene-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-propan-2-ylbenzene-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-propan-2-ylbenzene-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(C(C)C)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-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The InChIKey is WLNJMNYTAMLFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H32FN4O.Pt/c1-4-28-18-19-43-41(20-28)46-37-13-6-5-12-35(37)36-17-16-33(25-40(36)46)47-34-22-29(27(2)3)21-32(24-34)45-26-44(31-11-9-10-30(42)23-31)38-14-7-8-15-39(38)45;/h5-23,26-27H,4H2,1-3H3;/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-propan-2-ylbenzene-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-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 810.81 g/mol, XLogP of 10.80, 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-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 172534125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).