5-fluoro-2-[12-[(4-fluoro-2-oxidophenyl)methylideneamino]dodecyliminomethyl]phenolate;platinum(2+)

C26H32F2N2O2Pt — CID 139164235

IUPAC5-fluoro-2-[12-[(4-fluoro-2-oxidophenyl)methylideneamino]dodecyliminomethyl]phenolate;platinum(2+)
SMILES[O-]c1cc(F)ccc1/C=N/CCCCCCCCCCCC/N=C/c1ccc(F)cc1[O-].[Pt+2]
InChIInChI=1S/C26H34F2N2O2.Pt/c27-23-13-11-21(25(31)17-23)19-29-15-9-7-5-3-1-2-4-6-8-10-16-30-20-22-12-14-24(28)18-26(22)32;/h11-14,17-20,31-32H,1-10,15-16H2;/q;+2/p-2/b29-19+,30-20+;
InChIKeyIRSKWGHXTLMCPR-UMMVYMHASA-L
MW637.63 g/mol
LogP5.55
Rot. Bonds15

About 5-fluoro-2-[12-[(4-fluoro-2-oxidophenyl)methylideneamino]dodecyliminomethyl]phenolate;platinum(2+)

5-fluoro-2-[12-[(4-fluoro-2-oxidophenyl)methylideneamino]dodecyliminomethyl]phenolate;platinum(2+) (PubChem CID 139164235) has the molecular formula C26H32F2N2O2Pt and a molecular weight of 637.63 g/mol. Its IUPAC name is 5-fluoro-2-[12-[(4-fluoro-2-oxidophenyl)methylideneamino]dodecyliminomethyl]phenolate;platinum(2+).

Molecular Properties

Compound Name5-fluoro-2-[12-[(4-fluoro-2-oxidophenyl)methylideneamino]dodecyliminomethyl]phenolate;platinum(2+)
PubChem CID139164235
Molecular FormulaC26H32F2N2O2Pt
Molecular Weight637.63 g/mol
Exact Mass637.21
IUPAC Name5-fluoro-2-[12-[(4-fluoro-2-oxidophenyl)methylideneamino]dodecyliminomethyl]phenolate;platinum(2+)
SMILES[O-]c1cc(F)ccc1/C=N/CCCCCCCCCCCC/N=C/c1ccc(F)cc1[O-].[Pt+2]
InChIInChI=1S/C26H34F2N2O2.Pt/c27-23-13-11-21(25(31)17-23)19-29-15-9-7-5-3-1-2-4-6-8-10-16-30-20-22-12-14-24(28)18-26(22)32;/h11-14,17-20,31-32H,1-10,15-16H2;/q;+2/p-2/b29-19+,30-20+;
InChIKeyIRSKWGHXTLMCPR-UMMVYMHASA-L
XLogP5.55
TPSA70.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.63
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

copper 2-[4-[(2-oxidophenyl)methylideneamino]butyliminomethyl]phenolate
CID 139055616
4-fluoro-2-(pentyliminomethyl)phenol
CID 144549323
manganese(3+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
CID 6711806
bis(N,N-dimethylformamide);bis(iron(3+));bis(2-[3-[(2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate);dihydroxide
CID 139076139
(4-fluorophenyl)-hydroxyphosphinate;bis(manganese(3+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);perchlorate
CID 139140804
4-fluoro-2-[[2-[(5-fluoro-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;platinum(2+)
CID 86298558
4-bromo-2-[8-[(5-bromo-2-hydroxyphenyl)methylideneamino]octyliminomethyl]phenol
CID 139081919
4-(octadecyliminomethyl)benzene-1,3-diol
CID 135714970
2-[10-[(2-hydroxy-4-methoxyphenyl)methylideneamino]decyliminomethyl]-5-methoxyphenol
CID 136618032
3-[10-[(3-hydroxynaphthalen-2-yl)methylideneamino]decyliminomethyl]naphthalen-2-ol
CID 177478383
sodium 2-(propyliminomethyl)phenolate
CID 102119842
2-[4-[(2-sulfanylphenyl)methylideneamino]butyliminomethyl]benzenethiol
CID 136866170

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[12-[(4-fluoro-2-oxidophenyl)methylideneamino]dodecyliminomethyl]phenolate;platinum(2+)?
The IUPAC name of 5-fluoro-2-[12-[(4-fluoro-2-oxidophenyl)methylideneamino]dodecyliminomethyl]phenolate;platinum(2+) (CID 139164235) is 5-fluoro-2-[12-[(4-fluoro-2-oxidophenyl)methylideneamino]dodecyliminomethyl]phenolate;platinum(2+).
What is the SMILES notation for 5-fluoro-2-[12-[(4-fluoro-2-oxidophenyl)methylideneamino]dodecyliminomethyl]phenolate;platinum(2+)?
The canonical SMILES for 5-fluoro-2-[12-[(4-fluoro-2-oxidophenyl)methylideneamino]dodecyliminomethyl]phenolate;platinum(2+) is [O-]c1cc(F)ccc1/C=N/CCCCCCCCCCCC/N=C/c1ccc(F)cc1[O-].[Pt+2].
What is the InChIKey of 5-fluoro-2-[12-[(4-fluoro-2-oxidophenyl)methylideneamino]dodecyliminomethyl]phenolate;platinum(2+)?
The InChIKey is IRSKWGHXTLMCPR-UMMVYMHASA-L. The full InChI is InChI=1S/C26H34F2N2O2.Pt/c27-23-13-11-21(25(31)17-23)19-29-15-9-7-5-3-1-2-4-6-8-10-16-30-20-22-12-14-24(28)18-26(22)32;/h11-14,17-20,31-32H,1-10,15-16H2;/q;+2/p-2/b29-19+,30-20+;.
What are the key properties of 5-fluoro-2-[12-[(4-fluoro-2-oxidophenyl)methylideneamino]dodecyliminomethyl]phenolate;platinum(2+)?
5-fluoro-2-[12-[(4-fluoro-2-oxidophenyl)methylideneamino]dodecyliminomethyl]phenolate;platinum(2+) has a molecular weight of 637.63 g/mol, XLogP of 5.55, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[12-[(4-fluoro-2-oxidophenyl)methylideneamino]dodecyliminomethyl]phenolate;platinum(2+) is sourced from PubChem (CID 139164235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).