2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;bis(2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline;platinum

C104H100F8N8O8Pt4-4 — CID 158674008

IUPAC2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;bis(2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline;platinum
SMILESCC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.Cc1ccc(-c2nc3ccccc3nc2-c2[c-]cc(C(F)(F)F)cc2)cc1.Cc1ccc(-c2nc3ccccc3nc2-c2[c-]cc(C(F)(F)F)cc2)cc1.Fc1c[c-]c(-c2nc3ccccc3nc2-c2ccc(F)cc2)cc1.[Pt].[Pt].[Pt].[Pt].[c-]1ccccc1-c1nc2ccccc2nc1-c1ccccc1
InChIInChI=1S/2C22H14F3N2.C20H11F2N2.C20H13N2.4C5H12O2.4Pt/c2*1-14-6-8-15(9-7-14)20-21(27-19-5-3-2-4-18(19)26-20)16-10-12-17(13-11-16)22(23,24)25;21-15-9-5-13(6-10-15)19-20(14-7-11-16(22)12-8-14)24-18-4-2-1-3-17(18)23-19;1-3-9-15(10-4-1)19-20(16-11-5-2-6-12-16)22-18-14-8-7-13-17(18)21-19;4*1-4(6)3-5(2)7;;;;/h2*2-10,12-13H,1H3;1-7,9-12H;1-11,13-14H;4*4-7H,3H2,1-2H3;;;;/q4*-1;;;;;;;;
InChIKeyQJIWFJPCVSXUBP-UHFFFAOYSA-N
MW2522.29 g/mol
LogP22.53
Rot. Bonds16

About 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;bis(2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline;platinum

2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;bis(2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline;platinum (PubChem CID 158674008) has the molecular formula C104H100F8N8O8Pt4-4 and a molecular weight of 2522.29 g/mol. Its IUPAC name is 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;bis(2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline;platinum.

Molecular Properties

Compound Name2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;bis(2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline;platinum
PubChem CID158674008
Molecular FormulaC104H100F8N8O8Pt4-4
Molecular Weight2522.29 g/mol
Exact Mass2520.61
IUPAC Name2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;bis(2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline;platinum
SMILESCC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.Cc1ccc(-c2nc3ccccc3nc2-c2[c-]cc(C(F)(F)F)cc2)cc1.Cc1ccc(-c2nc3ccccc3nc2-c2[c-]cc(C(F)(F)F)cc2)cc1.Fc1c[c-]c(-c2nc3ccccc3nc2-c2ccc(F)cc2)cc1.[Pt].[Pt].[Pt].[Pt].[c-]1ccccc1-c1nc2ccccc2nc1-c1ccccc1
InChIInChI=1S/2C22H14F3N2.C20H11F2N2.C20H13N2.4C5H12O2.4Pt/c2*1-14-6-8-15(9-7-14)20-21(27-19-5-3-2-4-18(19)26-20)16-10-12-17(13-11-16)22(23,24)25;21-15-9-5-13(6-10-15)19-20(14-7-11-16(22)12-8-14)24-18-4-2-1-3-17(18)23-19;1-3-9-15(10-4-1)19-20(16-11-5-2-6-12-16)22-18-14-8-7-13-17(18)21-19;4*1-4(6)3-5(2)7;;;;/h2*2-10,12-13H,1H3;1-7,9-12H;1-11,13-14H;4*4-7H,3H2,1-2H3;;;;/q4*-1;;;;;;;;
InChIKeyQJIWFJPCVSXUBP-UHFFFAOYSA-N
XLogP22.53
TPSA264.96 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms132
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002522.29
LogP ≤ 522.53
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;bis(2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline;platinum with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;bis(2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline;platinum?
The IUPAC name of 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;bis(2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline;platinum (CID 158674008) is 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;bis(2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline;platinum.
What is the SMILES notation for 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;bis(2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline;platinum?
The canonical SMILES for 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;bis(2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline;platinum is CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.Cc1ccc(-c2nc3ccccc3nc2-c2[c-]cc(C(F)(F)F)cc2)cc1.Cc1ccc(-c2nc3ccccc3nc2-c2[c-]cc(C(F)(F)F)cc2)cc1.Fc1c[c-]c(-c2nc3ccccc3nc2-c2ccc(F)cc2)cc1.[Pt].[Pt].[Pt].[Pt].[c-]1ccccc1-c1nc2ccccc2nc1-c1ccccc1.
What is the InChIKey of 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;bis(2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline;platinum?
The InChIKey is QJIWFJPCVSXUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H14F3N2.C20H11F2N2.C20H13N2.4C5H12O2.4Pt/c2*1-14-6-8-15(9-7-14)20-21(27-19-5-3-2-4-18(19)26-20)16-10-12-17(13-11-16)22(23,24)25;21-15-9-5-13(6-10-15)19-20(14-7-11-16(22)12-8-14)24-18-4-2-1-3-17(18)23-19;1-3-9-15(10-4-1)19-20(16-11-5-2-6-12-16)22-18-14-8-7-13-17(18)21-19;4*1-4(6)3-5(2)7;;;;/h2*2-10,12-13H,1H3;1-7,9-12H;1-11,13-14H;4*4-7H,3H2,1-2H3;;;;/q4*-1;;;;;;;;.
What are the key properties of 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;bis(2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline;platinum?
2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;bis(2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline;platinum has a molecular weight of 2522.29 g/mol, XLogP of 22.53, 16 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;bis(2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline;platinum is sourced from PubChem (CID 158674008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).