4-(2,4-difluorobenzene-6-id-1-yl)-6-(2,4-difluorophenyl)pyrimidine;4-(2,4-difluorobenzene-6-id-1-yl)-6-(2,6-dimethylphenyl)pyrimidine;4-(2,6-dimethylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;4-(4-fluorobenzene-6-id-1-yl)-6-(4-fluorophenyl)pyrimidine;tetrakis(iridium);tetrakis(pentane-2,4-diol)

C89H91F11Ir4N8O8-4 — CID 159494015

About 4-(2,4-difluorobenzene-6-id-1-yl)-6-(2,4-difluorophenyl)pyrimidine;4-(2,4-difluorobenzene-6-id-1-yl)-6-(2,6-dimethylphenyl)pyrimidine;4-(2,6-dimethylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;4-(4-fluorobenzene-6-id-1-yl)-6-(4-fluorophenyl)pyrimidine;tetrakis(iridium);tetrakis(pentane-2,4-diol)

4-(2,4-difluorobenzene-6-id-1-yl)-6-(2,4-difluorophenyl)pyrimidine;4-(2,4-difluorobenzene-6-id-1-yl)-6-(2,6-dimethylphenyl)pyrimidine;4-(2,6-dimethylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;4-(4-fluorobenzene-6-id-1-yl)-6-(4-fluorophenyl)pyrimidine;tetrakis(iridium);tetrakis(pentane-2,4-diol) (PubChem CID 159494015) has the molecular formula C89H91F11Ir4N8O8-4 and a molecular weight of 2378.60 g/mol. Its IUPAC name is 4-(2,4-difluorobenzene-6-id-1-yl)-6-(2,4-difluorophenyl)pyrimidine;4-(2,4-difluorobenzene-6-id-1-yl)-6-(2,6-dimethylphenyl)pyrimidine;4-(2,6-dimethylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;4-(4-fluorobenzene-6-id-1-yl)-6-(4-fluorophenyl)pyrimidine;tetrakis(iridium);tetrakis(pentane-2,4-diol).

Molecular Properties

• Compound Name: 4-(2,4-difluorobenzene-6-id-1-yl)-6-(2,4-difluorophenyl)pyrimidine;4-(2,4-difluorobenzene-6-id-1-yl)-6-(2,6-dimethylphenyl)pyrimidine;4-(2,6-dimethylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;4-(4-fluorobenzene-6-id-1-yl)-6-(4-fluorophenyl)pyrimidine;tetrakis(iridium);tetrakis(pentane-2,4-diol)
• PubChem CID: 159494015
• Molecular Formula: C89H91F11Ir4N8O8-4
• Molecular Weight: 2378.60 g/mol
• Exact Mass: 2380.53
• IUPAC Name: 4-(2,4-difluorobenzene-6-id-1-yl)-6-(2,4-difluorophenyl)pyrimidine;4-(2,4-difluorobenzene-6-id-1-yl)-6-(2,6-dimethylphenyl)pyrimidine;4-(2,6-dimethylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;4-(4-fluorobenzene-6-id-1-yl)-6-(4-fluorophenyl)pyrimidine;tetrakis(iridium);tetrakis(pentane-2,4-diol)
• SMILES: CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.Cc1cccc(C)c1-c1cc(-c2[c-]cc(C(F)(F)F)cc2)ncn1.Cc1cccc(C)c1-c1cc(-c2[c-]cc(F)cc2F)ncn1.Fc1c[c-]c(-c2cc(-c3ccc(F)cc3)ncn2)cc1.Fc1c[c-]c(-c2cc(-c3ccc(F)cc3F)ncn2)c(F)c1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C19H14F3N2.C18H13F2N2.C16H7F4N2.C16H9F2N2.4C5H12O2.4Ir/c1-12-4-3-5-13(2)18(12)17-10-16(23-11-24-17)14-6-8-15(9-7-14)19(20,21)22;1-11-4-3-5-12(2)18(11)17-9-16(21-10-22-17)14-7-6-13(19)8-15(14)20;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;17-13-5-1-11(2-6-13)15-9-16(20-10-19-15)12-3-7-14(18)8-4-12;4*1-4(6)3-5(2)7;;;;/h3-6,8-11H,1-2H3;3-6,8-10H,1-2H3;1-3,5-8H;1-3,5-10H;4*4-7H,3H2,1-2H3;;;;/q4*-1
• InChIKey: UWBPHWTVWAXPPZ-UHFFFAOYSA-N
• XLogP: 18.35
• TPSA: 264.96 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2378.60
LogP ≤ 5	18.35
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', '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;4-(2,4-difluorobenzene-6-id-1-yl)-6-(2,6-dimethylphenyl)pyrimidine;4-(2,6-dimethylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;4-(4-fluorobenzene-6-id-1-yl)-6-(4-fluorophenyl)pyrimidine;tetrakis(iridium);tetrakis(pentane-2,4-diol)?

The IUPAC name of 4-(2,4-difluorobenzene-6-id-1-yl)-6-(2,4-difluorophenyl)pyrimidine;4-(2,4-difluorobenzene-6-id-1-yl)-6-(2,6-dimethylphenyl)pyrimidine;4-(2,6-dimethylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;4-(4-fluorobenzene-6-id-1-yl)-6-(4-fluorophenyl)pyrimidine;tetrakis(iridium);tetrakis(pentane-2,4-diol) (CID 159494015) is 4-(2,4-difluorobenzene-6-id-1-yl)-6-(2,4-difluorophenyl)pyrimidine;4-(2,4-difluorobenzene-6-id-1-yl)-6-(2,6-dimethylphenyl)pyrimidine;4-(2,6-dimethylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;4-(4-fluorobenzene-6-id-1-yl)-6-(4-fluorophenyl)pyrimidine;tetrakis(iridium);tetrakis(pentane-2,4-diol).

What is the SMILES notation for 4-(2,4-difluorobenzene-6-id-1-yl)-6-(2,4-difluorophenyl)pyrimidine;4-(2,4-difluorobenzene-6-id-1-yl)-6-(2,6-dimethylphenyl)pyrimidine;4-(2,6-dimethylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;4-(4-fluorobenzene-6-id-1-yl)-6-(4-fluorophenyl)pyrimidine;tetrakis(iridium);tetrakis(pentane-2,4-diol)?

The canonical SMILES for 4-(2,4-difluorobenzene-6-id-1-yl)-6-(2,4-difluorophenyl)pyrimidine;4-(2,4-difluorobenzene-6-id-1-yl)-6-(2,6-dimethylphenyl)pyrimidine;4-(2,6-dimethylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;4-(4-fluorobenzene-6-id-1-yl)-6-(4-fluorophenyl)pyrimidine;tetrakis(iridium);tetrakis(pentane-2,4-diol) is CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.Cc1cccc(C)c1-c1cc(-c2[c-]cc(C(F)(F)F)cc2)ncn1.Cc1cccc(C)c1-c1cc(-c2[c-]cc(F)cc2F)ncn1.Fc1c[c-]c(-c2cc(-c3ccc(F)cc3)ncn2)cc1.Fc1c[c-]c(-c2cc(-c3ccc(F)cc3F)ncn2)c(F)c1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 4-(2,4-difluorobenzene-6-id-1-yl)-6-(2,4-difluorophenyl)pyrimidine;4-(2,4-difluorobenzene-6-id-1-yl)-6-(2,6-dimethylphenyl)pyrimidine;4-(2,6-dimethylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;4-(4-fluorobenzene-6-id-1-yl)-6-(4-fluorophenyl)pyrimidine;tetrakis(iridium);tetrakis(pentane-2,4-diol)?

The InChIKey is UWBPHWTVWAXPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N2.C18H13F2N2.C16H7F4N2.C16H9F2N2.4C5H12O2.4Ir/c1-12-4-3-5-13(2)18(12)17-10-16(23-11-24-17)14-6-8-15(9-7-14)19(20,21)22;1-11-4-3-5-12(2)18(11)17-9-16(21-10-22-17)14-7-6-13(19)8-15(14)20;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;17-13-5-1-11(2-6-13)15-9-16(20-10-19-15)12-3-7-14(18)8-4-12;4*1-4(6)3-5(2)7;;;;/h3-6,8-11H,1-2H3;3-6,8-10H,1-2H3;1-3,5-8H;1-3,5-10H;4*4-7H,3H2,1-2H3;;;;/q4*-1;;;;;;;;.

What are the key properties of 4-(2,4-difluorobenzene-6-id-1-yl)-6-(2,4-difluorophenyl)pyrimidine;4-(2,4-difluorobenzene-6-id-1-yl)-6-(2,6-dimethylphenyl)pyrimidine;4-(2,6-dimethylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;4-(4-fluorobenzene-6-id-1-yl)-6-(4-fluorophenyl)pyrimidine;tetrakis(iridium);tetrakis(pentane-2,4-diol)?

4-(2,4-difluorobenzene-6-id-1-yl)-6-(2,4-difluorophenyl)pyrimidine;4-(2,4-difluorobenzene-6-id-1-yl)-6-(2,6-dimethylphenyl)pyrimidine;4-(2,6-dimethylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;4-(4-fluorobenzene-6-id-1-yl)-6-(4-fluorophenyl)pyrimidine;tetrakis(iridium);tetrakis(pentane-2,4-diol) has a molecular weight of 2378.60 g/mol, XLogP of 18.35, 16 rotatable bonds, 8 hydrogen bond donors, and 16 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;4-(2,4-difluorobenzene-6-id-1-yl)-6-(2,6-dimethylphenyl)pyrimidine;4-(2,6-dimethylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;4-(4-fluorobenzene-6-id-1-yl)-6-(4-fluorophenyl)pyrimidine;tetrakis(iridium);tetrakis(pentane-2,4-diol) is sourced from PubChem (CID 159494015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).