2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;pentane-2,4-diol;platinum

C25H23F2N2O2Pt- — CID 58905614

IUPAC2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;pentane-2,4-diol;platinum
SMILESCC(O)CC(C)O.Fc1c[c-]c(-c2nc3ccccc3nc2-c2ccc(F)cc2)cc1.[Pt]
InChIInChI=1S/C20H11F2N2.C5H12O2.Pt/c21-15-9-5-13(6-10-15)19-20(14-7-11-16(22)12-8-14)24-18-4-2-1-3-17(18)23-19;1-4(6)3-5(2)7;/h1-7,9-12H;4-7H,3H2,1-2H3;/q-1;;
InChIKeyPZWMQLSVIWVVTR-UHFFFAOYSA-N
MW616.55 g/mol
LogP5.18
Rot. Bonds4

About 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;pentane-2,4-diol;platinum

2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;pentane-2,4-diol;platinum (PubChem CID 58905614) has the molecular formula C25H23F2N2O2Pt- and a molecular weight of 616.55 g/mol. Its IUPAC name is 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;pentane-2,4-diol;platinum.

Molecular Properties

Compound Name2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;pentane-2,4-diol;platinum
PubChem CID58905614
Molecular FormulaC25H23F2N2O2Pt-
Molecular Weight616.55 g/mol
Exact Mass616.14
IUPAC Name2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;pentane-2,4-diol;platinum
SMILESCC(O)CC(C)O.Fc1c[c-]c(-c2nc3ccccc3nc2-c2ccc(F)cc2)cc1.[Pt]
InChIInChI=1S/C20H11F2N2.C5H12O2.Pt/c21-15-9-5-13(6-10-15)19-20(14-7-11-16(22)12-8-14)24-18-4-2-1-3-17(18)23-19;1-4(6)3-5(2)7;/h1-7,9-12H;4-7H,3H2,1-2H3;/q-1;;
InChIKeyPZWMQLSVIWVVTR-UHFFFAOYSA-N
XLogP5.18
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.55
LogP ≤ 55.18
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
6,7-Difluoro-2-methyl-3-phenylquinoxaline
CID 167531210
{4-(3-Fluorobenzyl)-1-[(3-methyl-2-quinoxalinyl)methyl]-4-piperidinyl}methanol
CID 28736325
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-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;pentane-2,4-diol;platinum?
The IUPAC name of 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;pentane-2,4-diol;platinum (CID 58905614) is 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;pentane-2,4-diol;platinum.
What is the SMILES notation for 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;pentane-2,4-diol;platinum?
The canonical SMILES for 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;pentane-2,4-diol;platinum is CC(O)CC(C)O.Fc1c[c-]c(-c2nc3ccccc3nc2-c2ccc(F)cc2)cc1.[Pt].
What is the InChIKey of 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;pentane-2,4-diol;platinum?
The InChIKey is PZWMQLSVIWVVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F2N2.C5H12O2.Pt/c21-15-9-5-13(6-10-15)19-20(14-7-11-16(22)12-8-14)24-18-4-2-1-3-17(18)23-19;1-4(6)3-5(2)7;/h1-7,9-12H;4-7H,3H2,1-2H3;/q-1;;.
What are the key properties of 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;pentane-2,4-diol;platinum?
2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;pentane-2,4-diol;platinum has a molecular weight of 616.55 g/mol, XLogP of 5.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;pentane-2,4-diol;platinum is sourced from PubChem (CID 58905614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).