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;tris(iridium);2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;pentane-2,4-diol

C61H66ClF4Ir3N6O10-3 — CID 162020802

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;tris(iridium);2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;pentane-2,4-diol

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;tris(iridium);2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;pentane-2,4-diol (PubChem CID 162020802) has the molecular formula C61H66ClF4Ir3N6O10-3 and a molecular weight of 1731.33 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;tris(iridium);2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;pentane-2,4-diol.

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;tris(iridium);2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;pentane-2,4-diol
• PubChem CID: 162020802
• Molecular Formula: C61H66ClF4Ir3N6O10-3
• Molecular Weight: 1731.33 g/mol
• Exact Mass: 1732.34
• 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;tris(iridium);2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;pentane-2,4-diol
• SMILES: CC(O)CC(C)O.COC(O)CC(O)OC.COC(O)CC(O)OC.Cc1nc2ccccc2nc1-c1[c-]cc(C(F)(F)F)cc1.Cc1nc2ccccc2nc1-c1[c-]cc(Cl)cc1.Cc1nc2ccccc2nc1-c1[c-]cc(F)cc1.[Ir].[Ir].[Ir]
• InChI: InChI=1S/C16H10F3N2.C15H10ClN2.C15H10FN2.2C5H12O4.C5H12O2.3Ir/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*1-10-15(11-6-8-12(16)9-7-11)18-14-5-3-2-4-13(14)17-10;2*1-8-4(6)3-5(7)9-2;1-4(6)3-5(2)7;;;/h2-6,8-9H,1H3;2*2-6,8-9H,1H3;2*4-7H,3H2,1-2H3;4-7H,3H2,1-2H3;;;/q3*-1
• InChIKey: INELPXWNVFGHJN-UHFFFAOYSA-N
• XLogP: 10.77
• TPSA: 235.64 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1731.33
LogP ≤ 5	10.77
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

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;tris(iridium);2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;pentane-2,4-diol?

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;tris(iridium);2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;pentane-2,4-diol (CID 162020802) 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;tris(iridium);2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;pentane-2,4-diol.

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;tris(iridium);2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;pentane-2,4-diol?

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;tris(iridium);2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;pentane-2,4-diol is CC(O)CC(C)O.COC(O)CC(O)OC.COC(O)CC(O)OC.Cc1nc2ccccc2nc1-c1[c-]cc(C(F)(F)F)cc1.Cc1nc2ccccc2nc1-c1[c-]cc(Cl)cc1.Cc1nc2ccccc2nc1-c1[c-]cc(F)cc1.[Ir].[Ir].[Ir].

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;tris(iridium);2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;pentane-2,4-diol?

The InChIKey is INELPXWNVFGHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N2.C15H10ClN2.C15H10FN2.2C5H12O4.C5H12O2.3Ir/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*1-10-15(11-6-8-12(16)9-7-11)18-14-5-3-2-4-13(14)17-10;2*1-8-4(6)3-5(7)9-2;1-4(6)3-5(2)7;;;/h2-6,8-9H,1H3;2*2-6,8-9H,1H3;2*4-7H,3H2,1-2H3;4-7H,3H2,1-2H3;;;/q3*-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;tris(iridium);2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;pentane-2,4-diol?

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;tris(iridium);2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;pentane-2,4-diol has a molecular weight of 1731.33 g/mol, XLogP of 10.77, 13 rotatable bonds, 6 hydrogen bond donors, and 16 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;tris(iridium);2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;pentane-2,4-diol is sourced from PubChem (CID 162020802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).