2-(4-methyl-2H-pyrrol-2-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)-2H-pyrrol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)

C23H19F3N4Pt — CID 58444849

About 2-(4-methyl-2H-pyrrol-2-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)-2H-pyrrol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)

2-(4-methyl-2H-pyrrol-2-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)-2H-pyrrol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+) (PubChem CID 58444849) has the molecular formula C23H19F3N4Pt and a molecular weight of 603.51 g/mol. Its IUPAC name is 2-(4-methyl-2H-pyrrol-2-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)-2H-pyrrol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+).

Molecular Properties

• Compound Name: 2-(4-methyl-2H-pyrrol-2-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)-2H-pyrrol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)
• PubChem CID: 58444849
• Molecular Formula: C23H19F3N4Pt
• Molecular Weight: 603.51 g/mol
• Exact Mass: 603.12
• IUPAC Name: 2-(4-methyl-2H-pyrrol-2-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)-2H-pyrrol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)
• SMILES: Cc1c[c-]n(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)c4)n3)n2)c1.[Pt+2]
• InChI: InChI=1S/C23H19F3N4.Pt/c1-16-10-12-29(14-16)20-8-4-6-18(27-20)22(2,3)19-7-5-9-21(28-19)30-13-11-17(15-30)23(24,25)26;/h4-11,14-15H,1-3H3;/q-2;+2
• InChIKey: OLTZNVACFCQKAE-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.51
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2H-pyrrol-2-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)-2H-pyrrol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)?

The IUPAC name of 2-(4-methyl-2H-pyrrol-2-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)-2H-pyrrol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+) (CID 58444849) is 2-(4-methyl-2H-pyrrol-2-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)-2H-pyrrol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+).

What is the SMILES notation for 2-(4-methyl-2H-pyrrol-2-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)-2H-pyrrol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)?

The canonical SMILES for 2-(4-methyl-2H-pyrrol-2-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)-2H-pyrrol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+) is Cc1c[c-]n(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)c4)n3)n2)c1.[Pt+2].

What is the InChIKey of 2-(4-methyl-2H-pyrrol-2-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)-2H-pyrrol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)?

The InChIKey is OLTZNVACFCQKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4.Pt/c1-16-10-12-29(14-16)20-8-4-6-18(27-20)22(2,3)19-7-5-9-21(28-19)30-13-11-17(15-30)23(24,25)26;/h4-11,14-15H,1-3H3;/q-2;+2.

What are the key properties of 2-(4-methyl-2H-pyrrol-2-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)-2H-pyrrol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)?

2-(4-methyl-2H-pyrrol-2-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)-2H-pyrrol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+) has a molecular weight of 603.51 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methyl-2H-pyrrol-2-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)-2H-pyrrol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+) is sourced from PubChem (CID 58444849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).