2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;2-(4-chlorophenyl)quinoxaline;1,3-dimethoxypropane-1,3-diol;bis(2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline);tetrakis(iridium);4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;tetrakis(2-phenylpyridine);platinum;4-quinoxalin-2-ylbenzonitrile

C155H112Cl2F5Ir4N20O4Pt-9 — CID 161324116

IUPAC2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;2-(4-chlorophenyl)quinoxaline;1,3-dimethoxypropane-1,3-diol;bis(2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline);tetrakis(iridium);4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;tetrakis(2-phenylpyridine);platinum;4-quinoxalin-2-ylbenzonitrile
SMILESCOC(O)CC(O)OC.Cc1nc2ccccc2nc1-c1[c-]cc(C#N)cc1.Cc1nc2ccccc2nc1-c1[c-]cc(C(F)(F)F)cc1.Cc1nc2ccccc2nc1-c1[c-]cc(Cl)cc1.Cc1nc2ccccc2nc1-c1[c-]cc(F)cc1.Cc1nc2ccccc2nc1-c1[c-]cc(F)cc1.Clc1ccc(-c2cnc3ccccc3n2)cc1.N#Cc1ccc(-c2cnc3ccccc3n2)cc1.[Ir].[Ir].[Ir].[Ir].[Pt].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C16H10F3N2.C16H10N3.C15H10ClN2.2C15H10FN2.C15H9N3.C14H9ClN2.4C11H8N.C5H12O4.4Ir.Pt/c1-10-15(21-14-5-3-2-4-13(14)20-10)11-6-8-12(9-7-11)16(17,18)19;1-11-16(13-8-6-12(10-17)7-9-13)19-15-5-3-2-4-14(15)18-11;3*1-10-15(11-6-8-12(16)9-7-11)18-14-5-3-2-4-13(14)17-10;16-9-11-5-7-12(8-6-11)15-10-17-13-3-1-2-4-14(13)18-15;15-11-7-5-10(6-8-11)14-9-16-12-3-1-2-4-13(12)17-14;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-8-4(6)3-5(7)9-2;;;;;/h2-6,8-9H,1H3;2-8H,1H3;3*2-6,8-9H,1H3;1-8,10H;1-9H;4*1-6,8-9H;4-7H,3H2,1-2H3;;;;;/q5*-1;;;4*-1;;;;;;
InChIKeyGPJGHYMEPJPRMA-UHFFFAOYSA-N
MW3448.58 g/mol
LogP35.46
Rot. Bonds15

About 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;2-(4-chlorophenyl)quinoxaline;1,3-dimethoxypropane-1,3-diol;bis(2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline);tetrakis(iridium);4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;tetrakis(2-phenylpyridine);platinum;4-quinoxalin-2-ylbenzonitrile

2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;2-(4-chlorophenyl)quinoxaline;1,3-dimethoxypropane-1,3-diol;bis(2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline);tetrakis(iridium);4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;tetrakis(2-phenylpyridine);platinum;4-quinoxalin-2-ylbenzonitrile (PubChem CID 161324116) has the molecular formula C155H112Cl2F5Ir4N20O4Pt-9 and a molecular weight of 3448.58 g/mol. Its IUPAC name is 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;2-(4-chlorophenyl)quinoxaline;1,3-dimethoxypropane-1,3-diol;bis(2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline);tetrakis(iridium);4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;tetrakis(2-phenylpyridine);platinum;4-quinoxalin-2-ylbenzonitrile.

Molecular Properties

Compound Name2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;2-(4-chlorophenyl)quinoxaline;1,3-dimethoxypropane-1,3-diol;bis(2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline);tetrakis(iridium);4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;tetrakis(2-phenylpyridine);platinum;4-quinoxalin-2-ylbenzonitrile
PubChem CID161324116
Molecular FormulaC155H112Cl2F5Ir4N20O4Pt-9
Molecular Weight3448.58 g/mol
Exact Mass3448.67
IUPAC Name2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;2-(4-chlorophenyl)quinoxaline;1,3-dimethoxypropane-1,3-diol;bis(2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline);tetrakis(iridium);4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;tetrakis(2-phenylpyridine);platinum;4-quinoxalin-2-ylbenzonitrile
SMILESCOC(O)CC(O)OC.Cc1nc2ccccc2nc1-c1[c-]cc(C#N)cc1.Cc1nc2ccccc2nc1-c1[c-]cc(C(F)(F)F)cc1.Cc1nc2ccccc2nc1-c1[c-]cc(Cl)cc1.Cc1nc2ccccc2nc1-c1[c-]cc(F)cc1.Cc1nc2ccccc2nc1-c1[c-]cc(F)cc1.Clc1ccc(-c2cnc3ccccc3n2)cc1.N#Cc1ccc(-c2cnc3ccccc3n2)cc1.[Ir].[Ir].[Ir].[Ir].[Pt].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C16H10F3N2.C16H10N3.C15H10ClN2.2C15H10FN2.C15H9N3.C14H9ClN2.4C11H8N.C5H12O4.4Ir.Pt/c1-10-15(21-14-5-3-2-4-13(14)20-10)11-6-8-12(9-7-11)16(17,18)19;1-11-16(13-8-6-12(10-17)7-9-13)19-15-5-3-2-4-14(15)18-11;3*1-10-15(11-6-8-12(16)9-7-11)18-14-5-3-2-4-13(14)17-10;16-9-11-5-7-12(8-6-11)15-10-17-13-3-1-2-4-14(13)18-15;15-11-7-5-10(6-8-11)14-9-16-12-3-1-2-4-13(12)17-14;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-8-4(6)3-5(7)9-2;;;;;/h2-6,8-9H,1H3;2-8H,1H3;3*2-6,8-9H,1H3;1-8,10H;1-9H;4*1-6,8-9H;4-7H,3H2,1-2H3;;;;;/q5*-1;;;4*-1;;;;;;
InChIKeyGPJGHYMEPJPRMA-UHFFFAOYSA-N
XLogP35.46
TPSA338.52 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds15
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003448.58
LogP ≤ 535.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;2-(4-chlorophenyl)quinoxaline;1,3-dimethoxypropane-1,3-diol;bis(2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline);tetrakis(iridium);4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;tetrakis(2-phenylpyridine);platinum;4-quinoxalin-2-ylbenzonitrile with MolForge

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Related Compounds

Tris(iridium);bis(4-[3-(4-isocyanophenyl)quinoxalin-2-yl]benzene-5-ide-1-carbonitrile);pentane-2,4-diol;bis(2-phenylpyridine);2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline
CID 158277247
Tetrakis(iridium);bis(4-[3-(4-isocyanophenyl)quinoxalin-2-yl]benzene-5-ide-1-carbonitrile);2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;pentane-2,4-diol;2-phenyl-3-phenylquinoxaline;tris(2-phenylpyridine)
CID 159418051
2-(4-Chlorobenzene-6-id-1-yl)-3-methylquinoxaline;1,3-dimethoxypropane-1,3-diol;bis(2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline);tetrakis(iridium);4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;tetrakis(2-phenylpyridine);platinum
CID 159537318
2-(4-Chlorobenzene-6-id-1-yl)-3-methylquinoxaline;tris(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;iridium;bis(2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);2-phenylpyridine;platinum
CID 161031291
2-(4-Chlorobenzene-6-id-1-yl)-3-methylquinoxaline;tris(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;iridium;4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;2-phenylpyridine;platinum
CID 161566173
Bis(2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline);tris(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;bis(iridium);4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;bis(2-phenylpyridine);platinum
CID 161712658

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;2-(4-chlorophenyl)quinoxaline;1,3-dimethoxypropane-1,3-diol;bis(2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline);tetrakis(iridium);4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;tetrakis(2-phenylpyridine);platinum;4-quinoxalin-2-ylbenzonitrile?
The IUPAC name of 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;2-(4-chlorophenyl)quinoxaline;1,3-dimethoxypropane-1,3-diol;bis(2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline);tetrakis(iridium);4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;tetrakis(2-phenylpyridine);platinum;4-quinoxalin-2-ylbenzonitrile (CID 161324116) is 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;2-(4-chlorophenyl)quinoxaline;1,3-dimethoxypropane-1,3-diol;bis(2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline);tetrakis(iridium);4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;tetrakis(2-phenylpyridine);platinum;4-quinoxalin-2-ylbenzonitrile.
What is the SMILES notation for 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;2-(4-chlorophenyl)quinoxaline;1,3-dimethoxypropane-1,3-diol;bis(2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline);tetrakis(iridium);4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;tetrakis(2-phenylpyridine);platinum;4-quinoxalin-2-ylbenzonitrile?
The canonical SMILES for 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;2-(4-chlorophenyl)quinoxaline;1,3-dimethoxypropane-1,3-diol;bis(2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline);tetrakis(iridium);4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;tetrakis(2-phenylpyridine);platinum;4-quinoxalin-2-ylbenzonitrile is COC(O)CC(O)OC.Cc1nc2ccccc2nc1-c1[c-]cc(C#N)cc1.Cc1nc2ccccc2nc1-c1[c-]cc(C(F)(F)F)cc1.Cc1nc2ccccc2nc1-c1[c-]cc(Cl)cc1.Cc1nc2ccccc2nc1-c1[c-]cc(F)cc1.Cc1nc2ccccc2nc1-c1[c-]cc(F)cc1.Clc1ccc(-c2cnc3ccccc3n2)cc1.N#Cc1ccc(-c2cnc3ccccc3n2)cc1.[Ir].[Ir].[Ir].[Ir].[Pt].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;2-(4-chlorophenyl)quinoxaline;1,3-dimethoxypropane-1,3-diol;bis(2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline);tetrakis(iridium);4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;tetrakis(2-phenylpyridine);platinum;4-quinoxalin-2-ylbenzonitrile?
The InChIKey is GPJGHYMEPJPRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N2.C16H10N3.C15H10ClN2.2C15H10FN2.C15H9N3.C14H9ClN2.4C11H8N.C5H12O4.4Ir.Pt/c1-10-15(21-14-5-3-2-4-13(14)20-10)11-6-8-12(9-7-11)16(17,18)19;1-11-16(13-8-6-12(10-17)7-9-13)19-15-5-3-2-4-14(15)18-11;3*1-10-15(11-6-8-12(16)9-7-11)18-14-5-3-2-4-13(14)17-10;16-9-11-5-7-12(8-6-11)15-10-17-13-3-1-2-4-14(13)18-15;15-11-7-5-10(6-8-11)14-9-16-12-3-1-2-4-13(12)17-14;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-8-4(6)3-5(7)9-2;;;;;/h2-6,8-9H,1H3;2-8H,1H3;3*2-6,8-9H,1H3;1-8,10H;1-9H;4*1-6,8-9H;4-7H,3H2,1-2H3;;;;;/q5*-1;;;4*-1;;;;;;.
What are the key properties of 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;2-(4-chlorophenyl)quinoxaline;1,3-dimethoxypropane-1,3-diol;bis(2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline);tetrakis(iridium);4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;tetrakis(2-phenylpyridine);platinum;4-quinoxalin-2-ylbenzonitrile?
2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;2-(4-chlorophenyl)quinoxaline;1,3-dimethoxypropane-1,3-diol;bis(2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline);tetrakis(iridium);4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;tetrakis(2-phenylpyridine);platinum;4-quinoxalin-2-ylbenzonitrile has a molecular weight of 3448.58 g/mol, XLogP of 35.46, 15 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;2-(4-chlorophenyl)quinoxaline;1,3-dimethoxypropane-1,3-diol;bis(2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline);tetrakis(iridium);4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;tetrakis(2-phenylpyridine);platinum;4-quinoxalin-2-ylbenzonitrile is sourced from PubChem (CID 161324116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).