4-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)-5-methylpyrimidine;4-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)-5-phenylpyrimidine;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(3,5-dimethylphenyl)pyrimidine;4-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylpyrimidine;tris(2,6-dimethylheptane-3,5-diol);tetrakis(iridium);pentane-2,4-diol

C117H150Ir4N8O8-4 — CID 157494666

About 4-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)-5-methylpyrimidine;4-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)-5-phenylpyrimidine;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(3,5-dimethylphenyl)pyrimidine;4-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylpyrimidine;tris(2,6-dimethylheptane-3,5-diol);tetrakis(iridium);pentane-2,4-diol

4-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)-5-methylpyrimidine;4-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)-5-phenylpyrimidine;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(3,5-dimethylphenyl)pyrimidine;4-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylpyrimidine;tris(2,6-dimethylheptane-3,5-diol);tetrakis(iridium);pentane-2,4-diol (PubChem CID 157494666) has the molecular formula C117H150Ir4N8O8-4 and a molecular weight of 2565.40 g/mol. Its IUPAC name is 4-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)-5-methylpyrimidine;4-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)-5-phenylpyrimidine;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(3,5-dimethylphenyl)pyrimidine;4-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylpyrimidine;tris(2,6-dimethylheptane-3,5-diol);tetrakis(iridium);pentane-2,4-diol.

Molecular Properties

• Compound Name: 4-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)-5-methylpyrimidine;4-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)-5-phenylpyrimidine;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(3,5-dimethylphenyl)pyrimidine;4-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylpyrimidine;tris(2,6-dimethylheptane-3,5-diol);tetrakis(iridium);pentane-2,4-diol
• PubChem CID: 157494666
• Molecular Formula: C117H150Ir4N8O8-4
• Molecular Weight: 2565.40 g/mol
• Exact Mass: 2567.01
• IUPAC Name: 4-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)-5-methylpyrimidine;4-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)-5-phenylpyrimidine;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(3,5-dimethylphenyl)pyrimidine;4-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylpyrimidine;tris(2,6-dimethylheptane-3,5-diol);tetrakis(iridium);pentane-2,4-diol
• SMILES: CC(C)C(O)CC(O)C(C)C.CC(C)C(O)CC(O)C(C)C.CC(C)C(O)CC(O)C(C)C.CC(O)CC(C)O.Cc1[c-]c(-c2cc(-c3ccccc3)ncn2)cc(C)c1.Cc1[c-]c(-c2ncc(-c3cc(C)cc(C)c3)cn2)cc(C)c1.Cc1[c-]c(-c2ncnc(-c3cc(C)cc(C)c3)c2-c2ccccc2)cc(C)c1.Cc1[c-]c(-c2ncnc(-c3cc(C)cc(C)c3)c2C)cc(C)c1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C26H23N2.C21H21N2.C20H19N2.C18H15N2.3C9H20O2.C5H12O2.4Ir/c1-17-10-18(2)13-22(12-17)25-24(21-8-6-5-7-9-21)26(28-16-27-25)23-14-19(3)11-20(4)15-23;1-13-6-14(2)9-18(8-13)20-17(5)21(23-12-22-20)19-10-15(3)7-16(4)11-19;1-13-5-14(2)8-17(7-13)19-11-21-20(22-12-19)18-9-15(3)6-16(4)10-18;1-13-8-14(2)10-16(9-13)18-11-17(19-12-20-18)15-6-4-3-5-7-15;3*1-6(2)8(10)5-9(11)7(3)4;1-4(6)3-5(2)7;;;;/h5-14,16H,1-4H3;6-10,12H,1-5H3;5-9,11-12H,1-4H3;3-9,11-12H,1-2H3;3*6-11H,5H2,1-4H3;4-7H,3H2,1-2H3;;;;/q4*-1
• InChIKey: LVRQUCDREZBKSY-UHFFFAOYSA-N
• XLogP: 25.10
• TPSA: 264.96 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 16
• Rotatable Bonds: 23
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2565.40
LogP ≤ 5	25.10
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-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)-5-methylpyrimidine;4-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)-5-phenylpyrimidine;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(3,5-dimethylphenyl)pyrimidine;4-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylpyrimidine;tris(2,6-dimethylheptane-3,5-diol);tetrakis(iridium);pentane-2,4-diol?

The IUPAC name of 4-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)-5-methylpyrimidine;4-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)-5-phenylpyrimidine;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(3,5-dimethylphenyl)pyrimidine;4-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylpyrimidine;tris(2,6-dimethylheptane-3,5-diol);tetrakis(iridium);pentane-2,4-diol (CID 157494666) is 4-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)-5-methylpyrimidine;4-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)-5-phenylpyrimidine;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(3,5-dimethylphenyl)pyrimidine;4-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylpyrimidine;tris(2,6-dimethylheptane-3,5-diol);tetrakis(iridium);pentane-2,4-diol.

What is the SMILES notation for 4-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)-5-methylpyrimidine;4-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)-5-phenylpyrimidine;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(3,5-dimethylphenyl)pyrimidine;4-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylpyrimidine;tris(2,6-dimethylheptane-3,5-diol);tetrakis(iridium);pentane-2,4-diol?

The canonical SMILES for 4-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)-5-methylpyrimidine;4-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)-5-phenylpyrimidine;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(3,5-dimethylphenyl)pyrimidine;4-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylpyrimidine;tris(2,6-dimethylheptane-3,5-diol);tetrakis(iridium);pentane-2,4-diol is CC(C)C(O)CC(O)C(C)C.CC(C)C(O)CC(O)C(C)C.CC(C)C(O)CC(O)C(C)C.CC(O)CC(C)O.Cc1[c-]c(-c2cc(-c3ccccc3)ncn2)cc(C)c1.Cc1[c-]c(-c2ncc(-c3cc(C)cc(C)c3)cn2)cc(C)c1.Cc1[c-]c(-c2ncnc(-c3cc(C)cc(C)c3)c2-c2ccccc2)cc(C)c1.Cc1[c-]c(-c2ncnc(-c3cc(C)cc(C)c3)c2C)cc(C)c1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 4-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)-5-methylpyrimidine;4-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)-5-phenylpyrimidine;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(3,5-dimethylphenyl)pyrimidine;4-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylpyrimidine;tris(2,6-dimethylheptane-3,5-diol);tetrakis(iridium);pentane-2,4-diol?

The InChIKey is LVRQUCDREZBKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N2.C21H21N2.C20H19N2.C18H15N2.3C9H20O2.C5H12O2.4Ir/c1-17-10-18(2)13-22(12-17)25-24(21-8-6-5-7-9-21)26(28-16-27-25)23-14-19(3)11-20(4)15-23;1-13-6-14(2)9-18(8-13)20-17(5)21(23-12-22-20)19-10-15(3)7-16(4)11-19;1-13-5-14(2)8-17(7-13)19-11-21-20(22-12-19)18-9-15(3)6-16(4)10-18;1-13-8-14(2)10-16(9-13)18-11-17(19-12-20-18)15-6-4-3-5-7-15;3*1-6(2)8(10)5-9(11)7(3)4;1-4(6)3-5(2)7;;;;/h5-14,16H,1-4H3;6-10,12H,1-5H3;5-9,11-12H,1-4H3;3-9,11-12H,1-2H3;3*6-11H,5H2,1-4H3;4-7H,3H2,1-2H3;;;;/q4*-1;;;;;;;;.

What are the key properties of 4-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)-5-methylpyrimidine;4-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)-5-phenylpyrimidine;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(3,5-dimethylphenyl)pyrimidine;4-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylpyrimidine;tris(2,6-dimethylheptane-3,5-diol);tetrakis(iridium);pentane-2,4-diol?

4-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)-5-methylpyrimidine;4-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)-5-phenylpyrimidine;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(3,5-dimethylphenyl)pyrimidine;4-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylpyrimidine;tris(2,6-dimethylheptane-3,5-diol);tetrakis(iridium);pentane-2,4-diol has a molecular weight of 2565.40 g/mol, XLogP of 25.10, 23 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)-5-methylpyrimidine;4-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)-5-phenylpyrimidine;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(3,5-dimethylphenyl)pyrimidine;4-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylpyrimidine;tris(2,6-dimethylheptane-3,5-diol);tetrakis(iridium);pentane-2,4-diol is sourced from PubChem (CID 157494666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).