2-(3,5-difluorobenzene-6-id-1-yl)-3-(3,5-difluorophenyl)quinoxaline;pentane-2,4-diol;platinum

C25H21F4N2O2Pt- — CID 58389302

IUPAC2-(3,5-difluorobenzene-6-id-1-yl)-3-(3,5-difluorophenyl)quinoxaline;pentane-2,4-diol;platinum
SMILESCC(O)CC(C)O.Fc1[c-]c(-c2nc3ccccc3nc2-c2cc(F)cc(F)c2)cc(F)c1.[Pt]
InChIInChI=1S/C20H9F4N2.C5H12O2.Pt/c21-13-5-11(6-14(22)9-13)19-20(12-7-15(23)10-16(24)8-12)26-18-4-2-1-3-17(18)25-19;1-4(6)3-5(2)7;/h1-7,9-10H;4-7H,3H2,1-2H3;/q-1;;
InChIKeySTSAJSSDFCYWFA-UHFFFAOYSA-N
MW652.53 g/mol
LogP5.46
Rot. Bonds4

About 2-(3,5-difluorobenzene-6-id-1-yl)-3-(3,5-difluorophenyl)quinoxaline;pentane-2,4-diol;platinum

2-(3,5-difluorobenzene-6-id-1-yl)-3-(3,5-difluorophenyl)quinoxaline;pentane-2,4-diol;platinum (PubChem CID 58389302) has the molecular formula C25H21F4N2O2Pt- and a molecular weight of 652.53 g/mol. Its IUPAC name is 2-(3,5-difluorobenzene-6-id-1-yl)-3-(3,5-difluorophenyl)quinoxaline;pentane-2,4-diol;platinum.

Molecular Properties

Compound Name2-(3,5-difluorobenzene-6-id-1-yl)-3-(3,5-difluorophenyl)quinoxaline;pentane-2,4-diol;platinum
PubChem CID58389302
Molecular FormulaC25H21F4N2O2Pt-
Molecular Weight652.53 g/mol
Exact Mass652.12
IUPAC Name2-(3,5-difluorobenzene-6-id-1-yl)-3-(3,5-difluorophenyl)quinoxaline;pentane-2,4-diol;platinum
SMILESCC(O)CC(C)O.Fc1[c-]c(-c2nc3ccccc3nc2-c2cc(F)cc(F)c2)cc(F)c1.[Pt]
InChIInChI=1S/C20H9F4N2.C5H12O2.Pt/c21-13-5-11(6-14(22)9-13)19-20(12-7-15(23)10-16(24)8-12)26-18-4-2-1-3-17(18)25-19;1-4(6)3-5(2)7;/h1-7,9-10H;4-7H,3H2,1-2H3;/q-1;;
InChIKeySTSAJSSDFCYWFA-UHFFFAOYSA-N
XLogP5.46
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.53
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-{1-(3,4-Difluorobenzyl)-4-[(3-methylquinoxalin-2-yl)methyl]piperazin-2-yl}ethanol
CID 16190568
2-[4-[6-fluoro-3-[4-[2-hydroxyethyl(methyl)amino]phenyl]quinoxalin-2-yl]-N-methylanilino]ethanol
CID 177657049
{4-(3-Fluorobenzyl)-1-[(3-methyl-2-quinoxalinyl)methyl]-4-piperidinyl}methanol
CID 28736325
2,3-Dimethyl-5-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrazine;iridium;pentane-2,4-diol
CID 57543626
Iridium;pentane-2,4-diol;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinoxaline
CID 57567887
2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]-3-[3,5-bis(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinoxaline;iridium;pentane-2,4-diol
CID 57567895
Iridium;2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;pentane-2,4-diol
CID 58121726
2-(4-Methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;pentane-2,4-diol;platinum
CID 58121730
1,3-Dimethoxypropane-1,3-diol;iridium;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline
CID 58330979
2-Methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;pentane-2,4-diol;platinum
CID 58330982
Iridium;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;pentane-2,4-diol
CID 58330987
1,3-Dimethoxypropane-1,3-diol;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;platinum
CID 58330988

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorobenzene-6-id-1-yl)-3-(3,5-difluorophenyl)quinoxaline;pentane-2,4-diol;platinum?
The IUPAC name of 2-(3,5-difluorobenzene-6-id-1-yl)-3-(3,5-difluorophenyl)quinoxaline;pentane-2,4-diol;platinum (CID 58389302) is 2-(3,5-difluorobenzene-6-id-1-yl)-3-(3,5-difluorophenyl)quinoxaline;pentane-2,4-diol;platinum.
What is the SMILES notation for 2-(3,5-difluorobenzene-6-id-1-yl)-3-(3,5-difluorophenyl)quinoxaline;pentane-2,4-diol;platinum?
The canonical SMILES for 2-(3,5-difluorobenzene-6-id-1-yl)-3-(3,5-difluorophenyl)quinoxaline;pentane-2,4-diol;platinum is CC(O)CC(C)O.Fc1[c-]c(-c2nc3ccccc3nc2-c2cc(F)cc(F)c2)cc(F)c1.[Pt].
What is the InChIKey of 2-(3,5-difluorobenzene-6-id-1-yl)-3-(3,5-difluorophenyl)quinoxaline;pentane-2,4-diol;platinum?
The InChIKey is STSAJSSDFCYWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H9F4N2.C5H12O2.Pt/c21-13-5-11(6-14(22)9-13)19-20(12-7-15(23)10-16(24)8-12)26-18-4-2-1-3-17(18)25-19;1-4(6)3-5(2)7;/h1-7,9-10H;4-7H,3H2,1-2H3;/q-1;;.
What are the key properties of 2-(3,5-difluorobenzene-6-id-1-yl)-3-(3,5-difluorophenyl)quinoxaline;pentane-2,4-diol;platinum?
2-(3,5-difluorobenzene-6-id-1-yl)-3-(3,5-difluorophenyl)quinoxaline;pentane-2,4-diol;platinum has a molecular weight of 652.53 g/mol, XLogP of 5.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorobenzene-6-id-1-yl)-3-(3,5-difluorophenyl)quinoxaline;pentane-2,4-diol;platinum is sourced from PubChem (CID 58389302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).