(2,4-difluorobenzene-6-id-1-yl)-[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol;platinum(2+)

C27H17F7N2OPt — CID 59645701

About (2,4-difluorobenzene-6-id-1-yl)-[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol;platinum(2+)

(2,4-difluorobenzene-6-id-1-yl)-[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol;platinum(2+) (PubChem CID 59645701) has the molecular formula C27H17F7N2OPt and a molecular weight of 713.51 g/mol. Its IUPAC name is (2,4-difluorobenzene-6-id-1-yl)-[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol;platinum(2+).

Molecular Properties

• Compound Name: (2,4-difluorobenzene-6-id-1-yl)-[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol;platinum(2+)
• PubChem CID: 59645701
• Molecular Formula: C27H17F7N2OPt
• Molecular Weight: 713.51 g/mol
• Exact Mass: 713.09
• IUPAC Name: (2,4-difluorobenzene-6-id-1-yl)-[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol;platinum(2+)
• SMILES: CC(C)(c1cccc(-c2[c-]cc(F)c(C(F)(F)F)c2F)n1)c1cccc(C(O)c2[c-]cc(F)cc2F)n1.[Pt+2]
• InChI: InChI=1S/C27H17F7N2O.Pt/c1-26(2,22-8-4-6-20(36-22)25(37)15-10-9-14(28)13-18(15)30)21-7-3-5-19(35-21)16-11-12-17(29)23(24(16)31)27(32,33)34;/h3-9,12-13,25,37H,1-2H3;/q-2;+2
• InChIKey: JNFCJMJXWNVDGB-UHFFFAOYSA-N
• XLogP: 6.72
• TPSA: 46.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	713.51
LogP ≤ 5	6.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorobenzene-6-id-1-yl)-[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol;platinum(2+)?

The IUPAC name of (2,4-difluorobenzene-6-id-1-yl)-[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol;platinum(2+) (CID 59645701) is (2,4-difluorobenzene-6-id-1-yl)-[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol;platinum(2+).

What is the SMILES notation for (2,4-difluorobenzene-6-id-1-yl)-[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol;platinum(2+)?

The canonical SMILES for (2,4-difluorobenzene-6-id-1-yl)-[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol;platinum(2+) is CC(C)(c1cccc(-c2[c-]cc(F)c(C(F)(F)F)c2F)n1)c1cccc(C(O)c2[c-]cc(F)cc2F)n1.[Pt+2].

What is the InChIKey of (2,4-difluorobenzene-6-id-1-yl)-[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol;platinum(2+)?

The InChIKey is JNFCJMJXWNVDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17F7N2O.Pt/c1-26(2,22-8-4-6-20(36-22)25(37)15-10-9-14(28)13-18(15)30)21-7-3-5-19(35-21)16-11-12-17(29)23(24(16)31)27(32,33)34;/h3-9,12-13,25,37H,1-2H3;/q-2;+2.

What are the key properties of (2,4-difluorobenzene-6-id-1-yl)-[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol;platinum(2+)?

(2,4-difluorobenzene-6-id-1-yl)-[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol;platinum(2+) has a molecular weight of 713.51 g/mol, XLogP of 6.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2,4-difluorobenzene-6-id-1-yl)-[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol;platinum(2+) is sourced from PubChem (CID 59645701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).