2-[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol;platinum

C22H21F2N2OPt- — CID 59645978

IUPAC2-[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol;platinum
SMILESCC(C)(O)c1cccc(C(C)(C)c2cccc(-c3[c-]cc(F)cc3F)n2)n1.[Pt]
InChIInChI=1S/C22H21F2N2O.Pt/c1-21(2,19-9-6-10-20(26-19)22(3,4)27)18-8-5-7-17(25-18)15-12-11-14(23)13-16(15)24;/h5-11,13,27H,1-4H3;/q-1;
InChIKeyXCBVUPRGQNIPQA-UHFFFAOYSA-N
MW562.50 g/mol
LogP4.77
Rot. Bonds4

About 2-[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol;platinum

2-[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol;platinum (PubChem CID 59645978) has the molecular formula C22H21F2N2OPt- and a molecular weight of 562.50 g/mol. Its IUPAC name is 2-[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol;platinum.

Molecular Properties

Compound Name2-[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol;platinum
PubChem CID59645978
Molecular FormulaC22H21F2N2OPt-
Molecular Weight562.50 g/mol
Exact Mass562.13
IUPAC Name2-[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol;platinum
SMILESCC(C)(O)c1cccc(C(C)(C)c2cccc(-c3[c-]cc(F)cc3F)n2)n1.[Pt]
InChIInChI=1S/C22H21F2N2O.Pt/c1-21(2,19-9-6-10-20(26-19)22(3,4)27)18-8-5-7-17(25-18)15-12-11-14(23)13-16(15)24;/h5-11,13,27H,1-4H3;/q-1;
InChIKeyXCBVUPRGQNIPQA-UHFFFAOYSA-N
XLogP4.77
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.50
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol;platinum?
The IUPAC name of 2-[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol;platinum (CID 59645978) is 2-[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol;platinum.
What is the SMILES notation for 2-[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol;platinum?
The canonical SMILES for 2-[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol;platinum is CC(C)(O)c1cccc(C(C)(C)c2cccc(-c3[c-]cc(F)cc3F)n2)n1.[Pt].
What is the InChIKey of 2-[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol;platinum?
The InChIKey is XCBVUPRGQNIPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N2O.Pt/c1-21(2,19-9-6-10-20(26-19)22(3,4)27)18-8-5-7-17(25-18)15-12-11-14(23)13-16(15)24;/h5-11,13,27H,1-4H3;/q-1;.
What are the key properties of 2-[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol;platinum?
2-[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol;platinum has a molecular weight of 562.50 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol;platinum is sourced from PubChem (CID 59645978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).