2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;bis(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;bis(iridium);bis(4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile);2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;platinum;tris(pyridine-2-carboxylic acid)

C106H89ClF4Ir2N15O14Pt3-5 — CID 158853795

About 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;bis(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;bis(iridium);bis(4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile);2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;platinum;tris(pyridine-2-carboxylic acid)

2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;bis(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;bis(iridium);bis(4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile);2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;platinum;tris(pyridine-2-carboxylic acid) (PubChem CID 158853795) has the molecular formula C106H89ClF4Ir2N15O14Pt3-5 and a molecular weight of 2878.08 g/mol. Its IUPAC name is 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;bis(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;bis(iridium);bis(4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile);2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;platinum;tris(pyridine-2-carboxylic acid).

Molecular Properties

• Compound Name: 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;bis(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;bis(iridium);bis(4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile);2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;platinum;tris(pyridine-2-carboxylic acid)
• PubChem CID: 158853795
• Molecular Formula: C106H89ClF4Ir2N15O14Pt3-5
• Molecular Weight: 2878.08 g/mol
• Exact Mass: 2877.46
• IUPAC Name: 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;bis(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;bis(iridium);bis(4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile);2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;platinum;tris(pyridine-2-carboxylic acid)
• SMILES: COC(O)CC(O)OC.COC(O)CC(O)OC.Cc1nc2ccccc2nc1-c1[c-]cc(C#N)cc1.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.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[Ir].[Pt].[Pt].[Pt]
• InChI: InChI=1S/C16H10F3N2.2C16H10N3.C15H10ClN2.C15H10FN2.3C6H5NO2.2C5H12O4.2Ir.3Pt/c1-10-15(21-14-5-3-2-4-13(14)20-10)11-6-8-12(9-7-11)16(17,18)19;2*1-11-16(13-8-6-12(10-17)7-9-13)19-15-5-3-2-4-14(15)18-11;2*1-10-15(11-6-8-12(16)9-7-11)18-14-5-3-2-4-13(14)17-10;3*8-6(9)5-3-1-2-4-7-5;2*1-8-4(6)3-5(7)9-2;;;;;/h2-6,8-9H,1H3;2*2-8H,1H3;2*2-6,8-9H,1H3;3*1-4H,(H,8,9);2*4-7H,3H2,1-2H3;;;;;/q5*-1
• InChIKey: WHMDHOCZKDJVTM-UHFFFAOYSA-N
• XLogP: 19.52
• TPSA: 444.89 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 16
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2878.08
LogP ≤ 5	19.52
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;bis(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;bis(iridium);bis(4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile);2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;platinum;tris(pyridine-2-carboxylic acid)?

The IUPAC name of 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;bis(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;bis(iridium);bis(4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile);2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;platinum;tris(pyridine-2-carboxylic acid) (CID 158853795) is 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;bis(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;bis(iridium);bis(4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile);2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;platinum;tris(pyridine-2-carboxylic acid).

What is the SMILES notation for 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;bis(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;bis(iridium);bis(4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile);2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;platinum;tris(pyridine-2-carboxylic acid)?

The canonical SMILES for 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;bis(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;bis(iridium);bis(4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile);2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;platinum;tris(pyridine-2-carboxylic acid) is COC(O)CC(O)OC.COC(O)CC(O)OC.Cc1nc2ccccc2nc1-c1[c-]cc(C#N)cc1.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.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[Ir].[Pt].[Pt].[Pt].

What is the InChIKey of 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;bis(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;bis(iridium);bis(4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile);2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;platinum;tris(pyridine-2-carboxylic acid)?

The InChIKey is WHMDHOCZKDJVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N2.2C16H10N3.C15H10ClN2.C15H10FN2.3C6H5NO2.2C5H12O4.2Ir.3Pt/c1-10-15(21-14-5-3-2-4-13(14)20-10)11-6-8-12(9-7-11)16(17,18)19;2*1-11-16(13-8-6-12(10-17)7-9-13)19-15-5-3-2-4-14(15)18-11;2*1-10-15(11-6-8-12(16)9-7-11)18-14-5-3-2-4-13(14)17-10;3*8-6(9)5-3-1-2-4-7-5;2*1-8-4(6)3-5(7)9-2;;;;;/h2-6,8-9H,1H3;2*2-8H,1H3;2*2-6,8-9H,1H3;3*1-4H,(H,8,9);2*4-7H,3H2,1-2H3;;;;;/q5*-1;;;;;;;;;;.

What are the key properties of 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;bis(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;bis(iridium);bis(4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile);2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;platinum;tris(pyridine-2-carboxylic acid)?

2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;bis(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;bis(iridium);bis(4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile);2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;platinum;tris(pyridine-2-carboxylic acid) has a molecular weight of 2878.08 g/mol, XLogP of 19.52, 16 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;bis(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;bis(iridium);bis(4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile);2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;platinum;tris(pyridine-2-carboxylic acid) is sourced from PubChem (CID 158853795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).