4-(2,4-difluorobenzene-6-id-1-yl)-6-(2,4-difluorophenyl)pyrimidine;(2E,5E)-1-(2,4-difluorophenyl)-5,7-difluorohepta-2,5-dien-1-imine;4-(2,6-dimethylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;(2E,5Z)-1-(2,6-dimethylphenyl)-8,8,8-trifluoroocta-2,5-dien-1-imine;5,6-diphenyl-4-phenylpyrimidine;tetrakis(iridium);4-(4-methylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;tetrakis(pentane-2,4-diol);(2E,5Z)-8,8,8-trifluoro-1-(4-methylphenyl)octa-2,5-dien-1-imine

C139H141F20Ir4N11O8-4 — CID 158020243

About 4-(2,4-difluorobenzene-6-id-1-yl)-6-(2,4-difluorophenyl)pyrimidine;(2E,5E)-1-(2,4-difluorophenyl)-5,7-difluorohepta-2,5-dien-1-imine;4-(2,6-dimethylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;(2E,5Z)-1-(2,6-dimethylphenyl)-8,8,8-trifluoroocta-2,5-dien-1-imine;5,6-diphenyl-4-phenylpyrimidine;tetrakis(iridium);4-(4-methylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;tetrakis(pentane-2,4-diol);(2E,5Z)-8,8,8-trifluoro-1-(4-methylphenyl)octa-2,5-dien-1-imine

4-(2,4-difluorobenzene-6-id-1-yl)-6-(2,4-difluorophenyl)pyrimidine;(2E,5E)-1-(2,4-difluorophenyl)-5,7-difluorohepta-2,5-dien-1-imine;4-(2,6-dimethylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;(2E,5Z)-1-(2,6-dimethylphenyl)-8,8,8-trifluoroocta-2,5-dien-1-imine;5,6-diphenyl-4-phenylpyrimidine;tetrakis(iridium);4-(4-methylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;tetrakis(pentane-2,4-diol);(2E,5Z)-8,8,8-trifluoro-1-(4-methylphenyl)octa-2,5-dien-1-imine (PubChem CID 158020243) has the molecular formula C139H141F20Ir4N11O8-4 and a molecular weight of 3242.55 g/mol. Its IUPAC name is 4-(2,4-difluorobenzene-6-id-1-yl)-6-(2,4-difluorophenyl)pyrimidine;(2E,5E)-1-(2,4-difluorophenyl)-5,7-difluorohepta-2,5-dien-1-imine;4-(2,6-dimethylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;(2E,5Z)-1-(2,6-dimethylphenyl)-8,8,8-trifluoroocta-2,5-dien-1-imine;5,6-diphenyl-4-phenylpyrimidine;tetrakis(iridium);4-(4-methylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;tetrakis(pentane-2,4-diol);(2E,5Z)-8,8,8-trifluoro-1-(4-methylphenyl)octa-2,5-dien-1-imine.

Molecular Properties

• Compound Name: 4-(2,4-difluorobenzene-6-id-1-yl)-6-(2,4-difluorophenyl)pyrimidine;(2E,5E)-1-(2,4-difluorophenyl)-5,7-difluorohepta-2,5-dien-1-imine;4-(2,6-dimethylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;(2E,5Z)-1-(2,6-dimethylphenyl)-8,8,8-trifluoroocta-2,5-dien-1-imine;5,6-diphenyl-4-phenylpyrimidine;tetrakis(iridium);4-(4-methylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;tetrakis(pentane-2,4-diol);(2E,5Z)-8,8,8-trifluoro-1-(4-methylphenyl)octa-2,5-dien-1-imine
• PubChem CID: 158020243
• Molecular Formula: C139H141F20Ir4N11O8-4
• Molecular Weight: 3242.55 g/mol
• Exact Mass: 3243.92
• IUPAC Name: 4-(2,4-difluorobenzene-6-id-1-yl)-6-(2,4-difluorophenyl)pyrimidine;(2E,5E)-1-(2,4-difluorophenyl)-5,7-difluorohepta-2,5-dien-1-imine;4-(2,6-dimethylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;(2E,5Z)-1-(2,6-dimethylphenyl)-8,8,8-trifluoroocta-2,5-dien-1-imine;5,6-diphenyl-4-phenylpyrimidine;tetrakis(iridium);4-(4-methylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;tetrakis(pentane-2,4-diol);(2E,5Z)-8,8,8-trifluoro-1-(4-methylphenyl)octa-2,5-dien-1-imine
• SMILES: CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.Cc1ccc(-c2cc(-c3[c-]cc(C(F)(F)F)cc3)ncn2)cc1.Cc1cccc(C)c1-c1cc(-c2[c-]cc(C(F)(F)F)cc2)ncn1.Fc1c[c-]c(-c2cc(-c3ccc(F)cc3F)ncn2)c(F)c1.[H]/N=C(\C=C\C/C(F)=C\CF)c1ccc(F)cc1F.[H]/N=C(\C=C\C/C=C\CC(F)(F)F)c1c(C)cccc1C.[H]/N=C(\C=C\C/C=C\CC(F)(F)F)c1ccc(C)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ncnc(-c2ccccc2)c1-c1ccccc1
• InChI: InChI=1S/C22H15N2.C19H14F3N2.C18H12F3N2.C16H7F4N2.C16H18F3N.C15H16F3N.C13H11F4N.4C5H12O2.4Ir/c1-4-10-17(11-5-1)20-21(18-12-6-2-7-13-18)23-16-24-22(20)19-14-8-3-9-15-19;1-12-4-3-5-13(2)18(12)17-10-16(23-11-24-17)14-6-8-15(9-7-14)19(20,21)22;1-12-2-4-13(5-3-12)16-10-17(23-11-22-16)14-6-8-15(9-7-14)18(19,20)21;17-9-1-3-11(13(19)5-9)15-7-16(22-8-21-15)12-4-2-10(18)6-14(12)20;1-12-8-7-9-13(2)15(12)14(20)10-5-3-4-6-11-16(17,18)19;1-12-7-9-13(10-8-12)14(19)6-4-2-3-5-11-15(16,17)18;14-7-6-9(15)2-1-3-13(18)11-5-4-10(16)8-12(11)17;4*1-4(6)3-5(2)7;;;;/h1-14,16H;3-6,8-11H,1-2H3;2-6,8-11H,1H3;1-3,5-8H;4-10,20H,3,11H2,1-2H3;3-10,19H,2,11H2,1H3;1,3-6,8,18H,2,7H2;4*4-7H,3H2,1-2H3;;;;/q4*-1;;;;;;;;;;;/b;;;;6-4-,10-5+,20-14+;5-3-,6-4+,19-14+;3-1+,9-6+,18-13+
• InChIKey: VYLPDVBCWPYILA-CCTFOVSBSA-N
• XLogP: 34.22
• TPSA: 336.51 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 19
• Rotatable Bonds: 32
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3242.55
LogP ≤ 5	34.22
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorobenzene-6-id-1-yl)-6-(2,4-difluorophenyl)pyrimidine;(2E,5E)-1-(2,4-difluorophenyl)-5,7-difluorohepta-2,5-dien-1-imine;4-(2,6-dimethylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;(2E,5Z)-1-(2,6-dimethylphenyl)-8,8,8-trifluoroocta-2,5-dien-1-imine;5,6-diphenyl-4-phenylpyrimidine;tetrakis(iridium);4-(4-methylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;tetrakis(pentane-2,4-diol);(2E,5Z)-8,8,8-trifluoro-1-(4-methylphenyl)octa-2,5-dien-1-imine?

The IUPAC name of 4-(2,4-difluorobenzene-6-id-1-yl)-6-(2,4-difluorophenyl)pyrimidine;(2E,5E)-1-(2,4-difluorophenyl)-5,7-difluorohepta-2,5-dien-1-imine;4-(2,6-dimethylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;(2E,5Z)-1-(2,6-dimethylphenyl)-8,8,8-trifluoroocta-2,5-dien-1-imine;5,6-diphenyl-4-phenylpyrimidine;tetrakis(iridium);4-(4-methylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;tetrakis(pentane-2,4-diol);(2E,5Z)-8,8,8-trifluoro-1-(4-methylphenyl)octa-2,5-dien-1-imine (CID 158020243) is 4-(2,4-difluorobenzene-6-id-1-yl)-6-(2,4-difluorophenyl)pyrimidine;(2E,5E)-1-(2,4-difluorophenyl)-5,7-difluorohepta-2,5-dien-1-imine;4-(2,6-dimethylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;(2E,5Z)-1-(2,6-dimethylphenyl)-8,8,8-trifluoroocta-2,5-dien-1-imine;5,6-diphenyl-4-phenylpyrimidine;tetrakis(iridium);4-(4-methylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;tetrakis(pentane-2,4-diol);(2E,5Z)-8,8,8-trifluoro-1-(4-methylphenyl)octa-2,5-dien-1-imine.

What is the SMILES notation for 4-(2,4-difluorobenzene-6-id-1-yl)-6-(2,4-difluorophenyl)pyrimidine;(2E,5E)-1-(2,4-difluorophenyl)-5,7-difluorohepta-2,5-dien-1-imine;4-(2,6-dimethylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;(2E,5Z)-1-(2,6-dimethylphenyl)-8,8,8-trifluoroocta-2,5-dien-1-imine;5,6-diphenyl-4-phenylpyrimidine;tetrakis(iridium);4-(4-methylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;tetrakis(pentane-2,4-diol);(2E,5Z)-8,8,8-trifluoro-1-(4-methylphenyl)octa-2,5-dien-1-imine?

The canonical SMILES for 4-(2,4-difluorobenzene-6-id-1-yl)-6-(2,4-difluorophenyl)pyrimidine;(2E,5E)-1-(2,4-difluorophenyl)-5,7-difluorohepta-2,5-dien-1-imine;4-(2,6-dimethylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;(2E,5Z)-1-(2,6-dimethylphenyl)-8,8,8-trifluoroocta-2,5-dien-1-imine;5,6-diphenyl-4-phenylpyrimidine;tetrakis(iridium);4-(4-methylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;tetrakis(pentane-2,4-diol);(2E,5Z)-8,8,8-trifluoro-1-(4-methylphenyl)octa-2,5-dien-1-imine is CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.Cc1ccc(-c2cc(-c3[c-]cc(C(F)(F)F)cc3)ncn2)cc1.Cc1cccc(C)c1-c1cc(-c2[c-]cc(C(F)(F)F)cc2)ncn1.Fc1c[c-]c(-c2cc(-c3ccc(F)cc3F)ncn2)c(F)c1.[H]/N=C(\C=C\C/C(F)=C\CF)c1ccc(F)cc1F.[H]/N=C(\C=C\C/C=C\CC(F)(F)F)c1c(C)cccc1C.[H]/N=C(\C=C\C/C=C\CC(F)(F)F)c1ccc(C)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ncnc(-c2ccccc2)c1-c1ccccc1.

What is the InChIKey of 4-(2,4-difluorobenzene-6-id-1-yl)-6-(2,4-difluorophenyl)pyrimidine;(2E,5E)-1-(2,4-difluorophenyl)-5,7-difluorohepta-2,5-dien-1-imine;4-(2,6-dimethylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;(2E,5Z)-1-(2,6-dimethylphenyl)-8,8,8-trifluoroocta-2,5-dien-1-imine;5,6-diphenyl-4-phenylpyrimidine;tetrakis(iridium);4-(4-methylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;tetrakis(pentane-2,4-diol);(2E,5Z)-8,8,8-trifluoro-1-(4-methylphenyl)octa-2,5-dien-1-imine?

The InChIKey is VYLPDVBCWPYILA-CCTFOVSBSA-N. The full InChI is InChI=1S/C22H15N2.C19H14F3N2.C18H12F3N2.C16H7F4N2.C16H18F3N.C15H16F3N.C13H11F4N.4C5H12O2.4Ir/c1-4-10-17(11-5-1)20-21(18-12-6-2-7-13-18)23-16-24-22(20)19-14-8-3-9-15-19;1-12-4-3-5-13(2)18(12)17-10-16(23-11-24-17)14-6-8-15(9-7-14)19(20,21)22;1-12-2-4-13(5-3-12)16-10-17(23-11-22-16)14-6-8-15(9-7-14)18(19,20)21;17-9-1-3-11(13(19)5-9)15-7-16(22-8-21-15)12-4-2-10(18)6-14(12)20;1-12-8-7-9-13(2)15(12)14(20)10-5-3-4-6-11-16(17,18)19;1-12-7-9-13(10-8-12)14(19)6-4-2-3-5-11-15(16,17)18;14-7-6-9(15)2-1-3-13(18)11-5-4-10(16)8-12(11)17;4*1-4(6)3-5(2)7;;;;/h1-14,16H;3-6,8-11H,1-2H3;2-6,8-11H,1H3;1-3,5-8H;4-10,20H,3,11H2,1-2H3;3-10,19H,2,11H2,1H3;1,3-6,8,18H,2,7H2;4*4-7H,3H2,1-2H3;;;;/q4*-1;;;;;;;;;;;/b;;;;6-4-,10-5+,20-14+;5-3-,6-4+,19-14+;3-1+,9-6+,18-13+;;;;;;;;.

What are the key properties of 4-(2,4-difluorobenzene-6-id-1-yl)-6-(2,4-difluorophenyl)pyrimidine;(2E,5E)-1-(2,4-difluorophenyl)-5,7-difluorohepta-2,5-dien-1-imine;4-(2,6-dimethylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;(2E,5Z)-1-(2,6-dimethylphenyl)-8,8,8-trifluoroocta-2,5-dien-1-imine;5,6-diphenyl-4-phenylpyrimidine;tetrakis(iridium);4-(4-methylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;tetrakis(pentane-2,4-diol);(2E,5Z)-8,8,8-trifluoro-1-(4-methylphenyl)octa-2,5-dien-1-imine?

4-(2,4-difluorobenzene-6-id-1-yl)-6-(2,4-difluorophenyl)pyrimidine;(2E,5E)-1-(2,4-difluorophenyl)-5,7-difluorohepta-2,5-dien-1-imine;4-(2,6-dimethylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;(2E,5Z)-1-(2,6-dimethylphenyl)-8,8,8-trifluoroocta-2,5-dien-1-imine;5,6-diphenyl-4-phenylpyrimidine;tetrakis(iridium);4-(4-methylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;tetrakis(pentane-2,4-diol);(2E,5Z)-8,8,8-trifluoro-1-(4-methylphenyl)octa-2,5-dien-1-imine has a molecular weight of 3242.55 g/mol, XLogP of 34.22, 32 rotatable bonds, 11 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,4-difluorobenzene-6-id-1-yl)-6-(2,4-difluorophenyl)pyrimidine;(2E,5E)-1-(2,4-difluorophenyl)-5,7-difluorohepta-2,5-dien-1-imine;4-(2,6-dimethylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;(2E,5Z)-1-(2,6-dimethylphenyl)-8,8,8-trifluoroocta-2,5-dien-1-imine;5,6-diphenyl-4-phenylpyrimidine;tetrakis(iridium);4-(4-methylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;tetrakis(pentane-2,4-diol);(2E,5Z)-8,8,8-trifluoro-1-(4-methylphenyl)octa-2,5-dien-1-imine is sourced from PubChem (CID 158020243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).