2-(2,4-dimethoxybenzene-6-id-1-yl)-4-(2,4,6-trimethylphenyl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-methoxy-2-[2-methoxy-4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-methoxy-2-[4-methoxy-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-methoxy-2-[4-methoxy-2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine

C108H111F9Ir4N4O16-4 — CID 157294037

About 2-(2,4-dimethoxybenzene-6-id-1-yl)-4-(2,4,6-trimethylphenyl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-methoxy-2-[2-methoxy-4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-methoxy-2-[4-methoxy-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-methoxy-2-[4-methoxy-2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine

2-(2,4-dimethoxybenzene-6-id-1-yl)-4-(2,4,6-trimethylphenyl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-methoxy-2-[2-methoxy-4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-methoxy-2-[4-methoxy-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-methoxy-2-[4-methoxy-2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine (PubChem CID 157294037) has the molecular formula C108H111F9Ir4N4O16-4 and a molecular weight of 2660.94 g/mol. Its IUPAC name is 2-(2,4-dimethoxybenzene-6-id-1-yl)-4-(2,4,6-trimethylphenyl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-methoxy-2-[2-methoxy-4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-methoxy-2-[4-methoxy-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-methoxy-2-[4-methoxy-2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine.

Molecular Properties

• Compound Name: 2-(2,4-dimethoxybenzene-6-id-1-yl)-4-(2,4,6-trimethylphenyl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-methoxy-2-[2-methoxy-4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-methoxy-2-[4-methoxy-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-methoxy-2-[4-methoxy-2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine
• PubChem CID: 157294037
• Molecular Formula: C108H111F9Ir4N4O16-4
• Molecular Weight: 2660.94 g/mol
• Exact Mass: 2662.64
• IUPAC Name: 2-(2,4-dimethoxybenzene-6-id-1-yl)-4-(2,4,6-trimethylphenyl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-methoxy-2-[2-methoxy-4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-methoxy-2-[4-methoxy-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-methoxy-2-[4-methoxy-2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine
• SMILES: CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.COc1c[c-]c(-c2cc(-c3c(C)cc(C)cc3C)ccn2)c(OC)c1.COc1ccnc(-c2[c-]cc(-c3c(C)cc(C)cc3C)cc2OC)c1.COc1ccnc(-c2[c-]cc(OC)cc2-c2c(C(F)(F)F)cc(C(F)(F)F)cc2C(F)(F)F)c1.COc1ccnc(-c2[c-]cc(OC)cc2-c2c(C)cc(C)cc2C)c1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C22H13F9NO2.3C22H22NO2.4C5H8O2.4Ir/c1-33-12-3-4-14(18-10-13(34-2)5-6-32-18)15(9-12)19-16(21(26,27)28)7-11(20(23,24)25)8-17(19)22(29,30)31;1-14-10-15(2)22(16(3)11-14)17-8-9-23-20(12-17)19-7-6-18(24-4)13-21(19)25-5;1-14-10-15(2)22(16(3)11-14)17-6-7-19(21(12-17)25-5)20-13-18(24-4)8-9-23-20;1-14-10-15(2)22(16(3)11-14)20-12-17(24-4)6-7-19(20)21-13-18(25-5)8-9-23-21;4*1-4(6)3-5(2)7;;;;/h3,5-10H,1-2H3;3*6,8-13H,1-5H3;4*3,6H,1-2H3;;;;/q4*-1
• InChIKey: KDMJCNDNYKCYMI-UHFFFAOYSA-N
• XLogP: 26.90
• TPSA: 274.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2660.94
LogP ≤ 5	26.90
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxybenzene-6-id-1-yl)-4-(2,4,6-trimethylphenyl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-methoxy-2-[2-methoxy-4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-methoxy-2-[4-methoxy-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-methoxy-2-[4-methoxy-2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine?

The IUPAC name of 2-(2,4-dimethoxybenzene-6-id-1-yl)-4-(2,4,6-trimethylphenyl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-methoxy-2-[2-methoxy-4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-methoxy-2-[4-methoxy-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-methoxy-2-[4-methoxy-2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine (CID 157294037) is 2-(2,4-dimethoxybenzene-6-id-1-yl)-4-(2,4,6-trimethylphenyl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-methoxy-2-[2-methoxy-4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-methoxy-2-[4-methoxy-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-methoxy-2-[4-methoxy-2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine.

What is the SMILES notation for 2-(2,4-dimethoxybenzene-6-id-1-yl)-4-(2,4,6-trimethylphenyl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-methoxy-2-[2-methoxy-4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-methoxy-2-[4-methoxy-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-methoxy-2-[4-methoxy-2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine?

The canonical SMILES for 2-(2,4-dimethoxybenzene-6-id-1-yl)-4-(2,4,6-trimethylphenyl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-methoxy-2-[2-methoxy-4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-methoxy-2-[4-methoxy-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-methoxy-2-[4-methoxy-2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.COc1c[c-]c(-c2cc(-c3c(C)cc(C)cc3C)ccn2)c(OC)c1.COc1ccnc(-c2[c-]cc(-c3c(C)cc(C)cc3C)cc2OC)c1.COc1ccnc(-c2[c-]cc(OC)cc2-c2c(C(F)(F)F)cc(C(F)(F)F)cc2C(F)(F)F)c1.COc1ccnc(-c2[c-]cc(OC)cc2-c2c(C)cc(C)cc2C)c1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 2-(2,4-dimethoxybenzene-6-id-1-yl)-4-(2,4,6-trimethylphenyl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-methoxy-2-[2-methoxy-4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-methoxy-2-[4-methoxy-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-methoxy-2-[4-methoxy-2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine?

The InChIKey is KDMJCNDNYKCYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F9NO2.3C22H22NO2.4C5H8O2.4Ir/c1-33-12-3-4-14(18-10-13(34-2)5-6-32-18)15(9-12)19-16(21(26,27)28)7-11(20(23,24)25)8-17(19)22(29,30)31;1-14-10-15(2)22(16(3)11-14)17-8-9-23-20(12-17)19-7-6-18(24-4)13-21(19)25-5;1-14-10-15(2)22(16(3)11-14)17-6-7-19(21(12-17)25-5)20-13-18(24-4)8-9-23-20;1-14-10-15(2)22(16(3)11-14)20-12-17(24-4)6-7-19(20)21-13-18(25-5)8-9-23-21;4*1-4(6)3-5(2)7;;;;/h3,5-10H,1-2H3;3*6,8-13H,1-5H3;4*3,6H,1-2H3;;;;/q4*-1;;;;;;;;.

What are the key properties of 2-(2,4-dimethoxybenzene-6-id-1-yl)-4-(2,4,6-trimethylphenyl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-methoxy-2-[2-methoxy-4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-methoxy-2-[4-methoxy-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-methoxy-2-[4-methoxy-2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine?

2-(2,4-dimethoxybenzene-6-id-1-yl)-4-(2,4,6-trimethylphenyl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-methoxy-2-[2-methoxy-4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-methoxy-2-[4-methoxy-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-methoxy-2-[4-methoxy-2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine has a molecular weight of 2660.94 g/mol, XLogP of 26.90, 20 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-dimethoxybenzene-6-id-1-yl)-4-(2,4,6-trimethylphenyl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-methoxy-2-[2-methoxy-4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-methoxy-2-[4-methoxy-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-methoxy-2-[4-methoxy-2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine is sourced from PubChem (CID 157294037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).