3-[6-[3-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propyl]-2-pyridinyl]-2,6-difluorobenzene-4-ide-1-carbonitrile;platinum(2+)

C27H14F4N4Pt — CID 58004231

IUPAC3-[6-[3-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propyl]-2-pyridinyl]-2,6-difluorobenzene-4-ide-1-carbonitrile;platinum(2+)
SMILES[C-]#[N+]c1c(F)c[c-]c(-c2cccc(CCCc3cccc(-c4[c-]cc(F)c(C#N)c4F)n3)n2)c1F.[Pt+2]
InChIInChI=1S/C27H14F4N4.Pt/c1-33-27-22(29)14-12-19(26(27)31)24-10-4-8-17(35-24)6-2-5-16-7-3-9-23(34-16)18-11-13-21(28)20(15-32)25(18)30;/h3-4,7-10,13-14H,2,5-6H2;/q-2;+2
InChIKeyAJFBZKMSVFMWNK-UHFFFAOYSA-N
MW665.51 g/mol
LogP6.56
Rot. Bonds6

About 3-[6-[3-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propyl]-2-pyridinyl]-2,6-difluorobenzene-4-ide-1-carbonitrile;platinum(2+)

3-[6-[3-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propyl]-2-pyridinyl]-2,6-difluorobenzene-4-ide-1-carbonitrile;platinum(2+) (PubChem CID 58004231) has the molecular formula C27H14F4N4Pt and a molecular weight of 665.51 g/mol. Its IUPAC name is 3-[6-[3-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propyl]-2-pyridinyl]-2,6-difluorobenzene-4-ide-1-carbonitrile;platinum(2+).

Molecular Properties

Compound Name3-[6-[3-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propyl]-2-pyridinyl]-2,6-difluorobenzene-4-ide-1-carbonitrile;platinum(2+)
PubChem CID58004231
Molecular FormulaC27H14F4N4Pt
Molecular Weight665.51 g/mol
Exact Mass665.08
IUPAC Name3-[6-[3-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propyl]-2-pyridinyl]-2,6-difluorobenzene-4-ide-1-carbonitrile;platinum(2+)
SMILES[C-]#[N+]c1c(F)c[c-]c(-c2cccc(CCCc3cccc(-c4[c-]cc(F)c(C#N)c4F)n3)n2)c1F.[Pt+2]
InChIInChI=1S/C27H14F4N4.Pt/c1-33-27-22(29)14-12-19(26(27)31)24-10-4-8-17(35-24)6-2-5-16-7-3-9-23(34-16)18-11-13-21(28)20(15-32)25(18)30;/h3-4,7-10,13-14H,2,5-6H2;/q-2;+2
InChIKeyAJFBZKMSVFMWNK-UHFFFAOYSA-N
XLogP6.56
TPSA53.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.51
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[6-[3-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propyl]-2-pyridinyl]-2,6-difluorobenzene-4-ide-1-carbonitrile;platinum(2+) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[3-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propyl]-2-pyridinyl]-2,6-difluorobenzene-4-ide-1-carbonitrile;platinum(2+)?
The IUPAC name of 3-[6-[3-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propyl]-2-pyridinyl]-2,6-difluorobenzene-4-ide-1-carbonitrile;platinum(2+) (CID 58004231) is 3-[6-[3-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propyl]-2-pyridinyl]-2,6-difluorobenzene-4-ide-1-carbonitrile;platinum(2+).
What is the SMILES notation for 3-[6-[3-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propyl]-2-pyridinyl]-2,6-difluorobenzene-4-ide-1-carbonitrile;platinum(2+)?
The canonical SMILES for 3-[6-[3-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propyl]-2-pyridinyl]-2,6-difluorobenzene-4-ide-1-carbonitrile;platinum(2+) is [C-]#[N+]c1c(F)c[c-]c(-c2cccc(CCCc3cccc(-c4[c-]cc(F)c(C#N)c4F)n3)n2)c1F.[Pt+2].
What is the InChIKey of 3-[6-[3-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propyl]-2-pyridinyl]-2,6-difluorobenzene-4-ide-1-carbonitrile;platinum(2+)?
The InChIKey is AJFBZKMSVFMWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H14F4N4.Pt/c1-33-27-22(29)14-12-19(26(27)31)24-10-4-8-17(35-24)6-2-5-16-7-3-9-23(34-16)18-11-13-21(28)20(15-32)25(18)30;/h3-4,7-10,13-14H,2,5-6H2;/q-2;+2.
What are the key properties of 3-[6-[3-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propyl]-2-pyridinyl]-2,6-difluorobenzene-4-ide-1-carbonitrile;platinum(2+)?
3-[6-[3-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propyl]-2-pyridinyl]-2,6-difluorobenzene-4-ide-1-carbonitrile;platinum(2+) has a molecular weight of 665.51 g/mol, XLogP of 6.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[3-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propyl]-2-pyridinyl]-2,6-difluorobenzene-4-ide-1-carbonitrile;platinum(2+) is sourced from PubChem (CID 58004231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).