5-[[3,4-diethyl-5-[(3-ethyl-4,5-dimethylpyrrol-2-ylidene)methyl]pyrrol-1-id-2-yl]methylidene]-4-ethyl-3-methylpyrrol-1-id-2-one;2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2,6-di(phenyl)pyridine;1-[6-[6-(2-hydroxy-3,3-dimethylbut-1-enyl)-2-pyridinyl]-2-pyridinyl]-3,3-dimethylbut-1-en-2-ol;2-[6-[6-(2-hydroxy-2-phenylethenyl)-2-pyridinyl]-2-pyridinyl]-1-phenylethenol;bis(iridium);iridium(3+);platinum;bis(2-(6-pyridin-2-yl-2-pyridinyl)phenol)

C156H132F6Ir3N15O7Pt2-4 — CID 157160233

About 5-[[3,4-diethyl-5-[(3-ethyl-4,5-dimethylpyrrol-2-ylidene)methyl]pyrrol-1-id-2-yl]methylidene]-4-ethyl-3-methylpyrrol-1-id-2-one;2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2,6-di(phenyl)pyridine;1-[6-[6-(2-hydroxy-3,3-dimethylbut-1-enyl)-2-pyridinyl]-2-pyridinyl]-3,3-dimethylbut-1-en-2-ol;2-[6-[6-(2-hydroxy-2-phenylethenyl)-2-pyridinyl]-2-pyridinyl]-1-phenylethenol;bis(iridium);iridium(3+);platinum;bis(2-(6-pyridin-2-yl-2-pyridinyl)phenol)

5-[[3,4-diethyl-5-[(3-ethyl-4,5-dimethylpyrrol-2-ylidene)methyl]pyrrol-1-id-2-yl]methylidene]-4-ethyl-3-methylpyrrol-1-id-2-one;2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2,6-di(phenyl)pyridine;1-[6-[6-(2-hydroxy-3,3-dimethylbut-1-enyl)-2-pyridinyl]-2-pyridinyl]-3,3-dimethylbut-1-en-2-ol;2-[6-[6-(2-hydroxy-2-phenylethenyl)-2-pyridinyl]-2-pyridinyl]-1-phenylethenol;bis(iridium);iridium(3+);platinum;bis(2-(6-pyridin-2-yl-2-pyridinyl)phenol) (PubChem CID 157160233) has the molecular formula C156H132F6Ir3N15O7Pt2-4 and a molecular weight of 3409.66 g/mol. Its IUPAC name is 5-[[3,4-diethyl-5-[(3-ethyl-4,5-dimethylpyrrol-2-ylidene)methyl]pyrrol-1-id-2-yl]methylidene]-4-ethyl-3-methylpyrrol-1-id-2-one;2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2,6-di(phenyl)pyridine;1-[6-[6-(2-hydroxy-3,3-dimethylbut-1-enyl)-2-pyridinyl]-2-pyridinyl]-3,3-dimethylbut-1-en-2-ol;2-[6-[6-(2-hydroxy-2-phenylethenyl)-2-pyridinyl]-2-pyridinyl]-1-phenylethenol;bis(iridium);iridium(3+);platinum;bis(2-(6-pyridin-2-yl-2-pyridinyl)phenol).

Molecular Properties

• Compound Name: 5-[[3,4-diethyl-5-[(3-ethyl-4,5-dimethylpyrrol-2-ylidene)methyl]pyrrol-1-id-2-yl]methylidene]-4-ethyl-3-methylpyrrol-1-id-2-one;2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2,6-di(phenyl)pyridine;1-[6-[6-(2-hydroxy-3,3-dimethylbut-1-enyl)-2-pyridinyl]-2-pyridinyl]-3,3-dimethylbut-1-en-2-ol;2-[6-[6-(2-hydroxy-2-phenylethenyl)-2-pyridinyl]-2-pyridinyl]-1-phenylethenol;bis(iridium);iridium(3+);platinum;bis(2-(6-pyridin-2-yl-2-pyridinyl)phenol)
• PubChem CID: 157160233
• Molecular Formula: C156H132F6Ir3N15O7Pt2-4
• Molecular Weight: 3409.66 g/mol
• Exact Mass: 3409.85
• IUPAC Name: 5-[[3,4-diethyl-5-[(3-ethyl-4,5-dimethylpyrrol-2-ylidene)methyl]pyrrol-1-id-2-yl]methylidene]-4-ethyl-3-methylpyrrol-1-id-2-one;2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2,6-di(phenyl)pyridine;1-[6-[6-(2-hydroxy-3,3-dimethylbut-1-enyl)-2-pyridinyl]-2-pyridinyl]-3,3-dimethylbut-1-en-2-ol;2-[6-[6-(2-hydroxy-2-phenylethenyl)-2-pyridinyl]-2-pyridinyl]-1-phenylethenol;bis(iridium);iridium(3+);platinum;bis(2-(6-pyridin-2-yl-2-pyridinyl)phenol)
• SMILES: CC(C)(C)C(O)=Cc1cccc(-c2cccc(C=C(O)C(C)(C)C)n2)n1.CCC1=C(C)C(C)=NC1=Cc1[n-]c(C=C2[N-]C(=O)C(C)=C2CC)c(CC)c1CC.Fc1c[c-]c(-c2cccc(Cc3cccc(-c4[c-]cc(F)cc4F)n3)n2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.OC(=Cc1cccc(-c2cccc(C=C(O)c3ccccc3)n2)n1)c1ccccc1.Oc1ccccc1-c1cccc(-c2ccccn2)n1.Oc1ccccc1-c1cccc(-c2ccccn2)n1.[Ir+3].[Ir].[Ir].[Pt].[Pt].[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1
• InChI: InChI=1S/C26H20N2O2.C25H32N3O.C23H12F4N2.C22H28N2O2.C17H11N.2C16H12N2O.C11H6F2N.3Ir.2Pt/c29-25(19-9-3-1-4-10-19)17-21-13-7-15-23(27-21)24-16-8-14-22(28-24)18-26(30)20-11-5-2-6-12-20;1-8-17-14(5)16(7)26-21(17)12-23-19(10-3)20(11-4)24(27-23)13-22-18(9-2)15(6)25(29)28-22;24-14-7-9-18(20(26)11-14)22-5-1-3-16(28-22)13-17-4-2-6-23(29-17)19-10-8-15(25)12-21(19)27;1-21(2,3)19(25)13-15-9-7-11-17(23-15)18-12-8-10-16(24-18)14-20(26)22(4,5)6;1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15;2*19-16-10-2-1-6-12(16)13-8-5-9-15(18-13)14-7-3-4-11-17-14;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;;;;;/h1-18,29-30H;12-13H,8-11H2,1-7H3,(H-,26,27,28,29);1-8,11-12H,13H2;7-14,25-26H,1-6H3;1-8,10,12-13H;2*1-11,19H;1-4,6-7H;;;;;/q;-1;-2;;-2;;;-1;;;+3;;/p-1
• InChIKey: SLEFXTTWLPNKEZ-UHFFFAOYSA-M
• XLogP: 38.00
• TPSA: 333.69 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 25
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3409.66
LogP ≤ 5	38.00
H-Bond Donors ≤ 5	6
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'}

Frequently Asked Questions

What is the IUPAC name of 5-[[3,4-diethyl-5-[(3-ethyl-4,5-dimethylpyrrol-2-ylidene)methyl]pyrrol-1-id-2-yl]methylidene]-4-ethyl-3-methylpyrrol-1-id-2-one;2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2,6-di(phenyl)pyridine;1-[6-[6-(2-hydroxy-3,3-dimethylbut-1-enyl)-2-pyridinyl]-2-pyridinyl]-3,3-dimethylbut-1-en-2-ol;2-[6-[6-(2-hydroxy-2-phenylethenyl)-2-pyridinyl]-2-pyridinyl]-1-phenylethenol;bis(iridium);iridium(3+);platinum;bis(2-(6-pyridin-2-yl-2-pyridinyl)phenol)?

The IUPAC name of 5-[[3,4-diethyl-5-[(3-ethyl-4,5-dimethylpyrrol-2-ylidene)methyl]pyrrol-1-id-2-yl]methylidene]-4-ethyl-3-methylpyrrol-1-id-2-one;2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2,6-di(phenyl)pyridine;1-[6-[6-(2-hydroxy-3,3-dimethylbut-1-enyl)-2-pyridinyl]-2-pyridinyl]-3,3-dimethylbut-1-en-2-ol;2-[6-[6-(2-hydroxy-2-phenylethenyl)-2-pyridinyl]-2-pyridinyl]-1-phenylethenol;bis(iridium);iridium(3+);platinum;bis(2-(6-pyridin-2-yl-2-pyridinyl)phenol) (CID 157160233) is 5-[[3,4-diethyl-5-[(3-ethyl-4,5-dimethylpyrrol-2-ylidene)methyl]pyrrol-1-id-2-yl]methylidene]-4-ethyl-3-methylpyrrol-1-id-2-one;2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2,6-di(phenyl)pyridine;1-[6-[6-(2-hydroxy-3,3-dimethylbut-1-enyl)-2-pyridinyl]-2-pyridinyl]-3,3-dimethylbut-1-en-2-ol;2-[6-[6-(2-hydroxy-2-phenylethenyl)-2-pyridinyl]-2-pyridinyl]-1-phenylethenol;bis(iridium);iridium(3+);platinum;bis(2-(6-pyridin-2-yl-2-pyridinyl)phenol).

What is the SMILES notation for 5-[[3,4-diethyl-5-[(3-ethyl-4,5-dimethylpyrrol-2-ylidene)methyl]pyrrol-1-id-2-yl]methylidene]-4-ethyl-3-methylpyrrol-1-id-2-one;2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2,6-di(phenyl)pyridine;1-[6-[6-(2-hydroxy-3,3-dimethylbut-1-enyl)-2-pyridinyl]-2-pyridinyl]-3,3-dimethylbut-1-en-2-ol;2-[6-[6-(2-hydroxy-2-phenylethenyl)-2-pyridinyl]-2-pyridinyl]-1-phenylethenol;bis(iridium);iridium(3+);platinum;bis(2-(6-pyridin-2-yl-2-pyridinyl)phenol)?

The canonical SMILES for 5-[[3,4-diethyl-5-[(3-ethyl-4,5-dimethylpyrrol-2-ylidene)methyl]pyrrol-1-id-2-yl]methylidene]-4-ethyl-3-methylpyrrol-1-id-2-one;2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2,6-di(phenyl)pyridine;1-[6-[6-(2-hydroxy-3,3-dimethylbut-1-enyl)-2-pyridinyl]-2-pyridinyl]-3,3-dimethylbut-1-en-2-ol;2-[6-[6-(2-hydroxy-2-phenylethenyl)-2-pyridinyl]-2-pyridinyl]-1-phenylethenol;bis(iridium);iridium(3+);platinum;bis(2-(6-pyridin-2-yl-2-pyridinyl)phenol) is CC(C)(C)C(O)=Cc1cccc(-c2cccc(C=C(O)C(C)(C)C)n2)n1.CCC1=C(C)C(C)=NC1=Cc1[n-]c(C=C2[N-]C(=O)C(C)=C2CC)c(CC)c1CC.Fc1c[c-]c(-c2cccc(Cc3cccc(-c4[c-]cc(F)cc4F)n3)n2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.OC(=Cc1cccc(-c2cccc(C=C(O)c3ccccc3)n2)n1)c1ccccc1.Oc1ccccc1-c1cccc(-c2ccccn2)n1.Oc1ccccc1-c1cccc(-c2ccccn2)n1.[Ir+3].[Ir].[Ir].[Pt].[Pt].[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1.

What is the InChIKey of 5-[[3,4-diethyl-5-[(3-ethyl-4,5-dimethylpyrrol-2-ylidene)methyl]pyrrol-1-id-2-yl]methylidene]-4-ethyl-3-methylpyrrol-1-id-2-one;2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2,6-di(phenyl)pyridine;1-[6-[6-(2-hydroxy-3,3-dimethylbut-1-enyl)-2-pyridinyl]-2-pyridinyl]-3,3-dimethylbut-1-en-2-ol;2-[6-[6-(2-hydroxy-2-phenylethenyl)-2-pyridinyl]-2-pyridinyl]-1-phenylethenol;bis(iridium);iridium(3+);platinum;bis(2-(6-pyridin-2-yl-2-pyridinyl)phenol)?

The InChIKey is SLEFXTTWLPNKEZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H20N2O2.C25H32N3O.C23H12F4N2.C22H28N2O2.C17H11N.2C16H12N2O.C11H6F2N.3Ir.2Pt/c29-25(19-9-3-1-4-10-19)17-21-13-7-15-23(27-21)24-16-8-14-22(28-24)18-26(30)20-11-5-2-6-12-20;1-8-17-14(5)16(7)26-21(17)12-23-19(10-3)20(11-4)24(27-23)13-22-18(9-2)15(6)25(29)28-22;24-14-7-9-18(20(26)11-14)22-5-1-3-16(28-22)13-17-4-2-6-23(29-17)19-10-8-15(25)12-21(19)27;1-21(2,3)19(25)13-15-9-7-11-17(23-15)18-12-8-10-16(24-18)14-20(26)22(4,5)6;1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15;2*19-16-10-2-1-6-12(16)13-8-5-9-15(18-13)14-7-3-4-11-17-14;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;;;;;/h1-18,29-30H;12-13H,8-11H2,1-7H3,(H-,26,27,28,29);1-8,11-12H,13H2;7-14,25-26H,1-6H3;1-8,10,12-13H;2*1-11,19H;1-4,6-7H;;;;;/q;-1;-2;;-2;;;-1;;;+3;;/p-1.

What are the key properties of 5-[[3,4-diethyl-5-[(3-ethyl-4,5-dimethylpyrrol-2-ylidene)methyl]pyrrol-1-id-2-yl]methylidene]-4-ethyl-3-methylpyrrol-1-id-2-one;2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2,6-di(phenyl)pyridine;1-[6-[6-(2-hydroxy-3,3-dimethylbut-1-enyl)-2-pyridinyl]-2-pyridinyl]-3,3-dimethylbut-1-en-2-ol;2-[6-[6-(2-hydroxy-2-phenylethenyl)-2-pyridinyl]-2-pyridinyl]-1-phenylethenol;bis(iridium);iridium(3+);platinum;bis(2-(6-pyridin-2-yl-2-pyridinyl)phenol)?

5-[[3,4-diethyl-5-[(3-ethyl-4,5-dimethylpyrrol-2-ylidene)methyl]pyrrol-1-id-2-yl]methylidene]-4-ethyl-3-methylpyrrol-1-id-2-one;2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2,6-di(phenyl)pyridine;1-[6-[6-(2-hydroxy-3,3-dimethylbut-1-enyl)-2-pyridinyl]-2-pyridinyl]-3,3-dimethylbut-1-en-2-ol;2-[6-[6-(2-hydroxy-2-phenylethenyl)-2-pyridinyl]-2-pyridinyl]-1-phenylethenol;bis(iridium);iridium(3+);platinum;bis(2-(6-pyridin-2-yl-2-pyridinyl)phenol) has a molecular weight of 3409.66 g/mol, XLogP of 38.00, 25 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[3,4-diethyl-5-[(3-ethyl-4,5-dimethylpyrrol-2-ylidene)methyl]pyrrol-1-id-2-yl]methylidene]-4-ethyl-3-methylpyrrol-1-id-2-one;2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2,6-di(phenyl)pyridine;1-[6-[6-(2-hydroxy-3,3-dimethylbut-1-enyl)-2-pyridinyl]-2-pyridinyl]-3,3-dimethylbut-1-en-2-ol;2-[6-[6-(2-hydroxy-2-phenylethenyl)-2-pyridinyl]-2-pyridinyl]-1-phenylethenol;bis(iridium);iridium(3+);platinum;bis(2-(6-pyridin-2-yl-2-pyridinyl)phenol) is sourced from PubChem (CID 157160233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).