Bis(dimethyl(phenyl)phosphanium);3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;2-methyl-6-phenylpyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
C144H132F3Ir8N15O2OsP2-6 — CID 159412663
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACbis(dimethyl(phenyl)phosphanium);3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;2-methyl-6-phenylpyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCC(=O)C=C(C)O.C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc[c-]c(-c2cc(C)ccn2)c1.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccnc1-c1[c-]cccc1.Cc1ccnc(-c2[c-]cccc2)c1.Cc1ccnc(-c2[c-]cccc2)c1C.Cc1cnc(-c2[c-]cccc2)c(C)c1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Os+2].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C19H13N2.3C13H12N.3C12H10N.C11H8N.C9H5F3N3.C9H8N3.2C8H11P.C5H8O2.8Ir.Os/c1-3-9-15(10-4-1)19-20-17-13-7-8-14-18(17)21(19)16-11-5-2-6-12-16;1-10-4-3-5-12(8-10)13-9-11(2)6-7-14-13;1-10-8-11(2)13(14-9-10)12-6-4-3-5-7-12;1-10-8-9-14-13(11(10)2)12-6-4-3-5-7-12;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-7-6-9(12-11-7)8-4-2-3-5-10-8;2*1-9(2)8-6-4-3-5-7-8;1-4(6)3-5(2)7;;;;;;;;;/h1-9,11-14H;3-4,6-9H,1-2H3;2*3-6,8-9H,1-2H3;2*2-7,9H,1H3;2-5,7-9H,1H3;1-6,8-9H;1-5H;2-6H,1H3;2*3-7H,1-2H3;3,6H,1-2H3;;;;;;;;;/q10*-1;;;;;;;;;;;;+2/p+2
InChIKeySNTKUPBEMRDPDH-UHFFFAOYSA-P
MW3951.65 g/mol
LogP33.22
Rot. Bonds14
About Bis(dimethyl(phenyl)phosphanium);3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;2-methyl-6-phenylpyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
Bis(dimethyl(phenyl)phosphanium);3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;2-methyl-6-phenylpyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 159412663) has the molecular formula C144H132F3Ir8N15O2OsP2-6 and a molecular weight of 3951.65 g/mol. Its IUPAC name is bis(dimethyl(phenyl)phosphanium);3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;2-methyl-6-phenylpyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.
Molecular Properties
| Compound Name | Bis(dimethyl(phenyl)phosphanium);3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;2-methyl-6-phenylpyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine |
|---|---|
| PubChem CID | 159412663 |
| Molecular Formula | C144H132F3Ir8N15O2OsP2-6 |
| Molecular Weight | 3951.65 g/mol |
| Exact Mass | 3957.68 |
| IUPAC Name | bis(dimethyl(phenyl)phosphanium);3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;2-methyl-6-phenylpyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine |
| SMILES | CC(=O)C=C(C)O.C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc[c-]c(-c2cc(C)ccn2)c1.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccnc1-c1[c-]cccc1.Cc1ccnc(-c2[c-]cccc2)c1.Cc1ccnc(-c2[c-]cccc2)c1C.Cc1cnc(-c2[c-]cccc2)c(C)c1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Os+2].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2n1-c1ccccc1 |
| InChI | InChI=1S/C19H13N2.3C13H12N.3C12H10N.C11H8N.C9H5F3N3.C9H8N3.2C8H11P.C5H8O2.8Ir.Os/c1-3-9-15(10-4-1)19-20-17-13-7-8-14-18(17)21(19)16-11-5-2-6-12-16;1-10-4-3-5-12(8-10)13-9-11(2)6-7-14-13;1-10-8-11(2)13(14-9-10)12-6-4-3-5-7-12;1-10-8-9-14-13(11(10)2)12-6-4-3-5-7-12;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-7-6-9(12-11-7)8-4-2-3-5-10-8;2*1-9(2)8-6-4-3-5-7-8;1-4(6)3-5(2)7;;;;;;;;;/h1-9,11-14H;3-4,6-9H,1-2H3;2*3-6,8-9H,1-2H3;2*2-7,9H,1H3;2-5,7-9H,1H3;1-6,8-9H;1-5H;2-6H,1H3;2*3-7H,1-2H3;3,6H,1-2H3;;;;;;;;;/q10*-1;;;;;;;;;;;;+2/p+2 |
| InChIKey | SNTKUPBEMRDPDH-UHFFFAOYSA-P |
| XLogP | 33.22 |
| TPSA | 225.11 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 175 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3951.65 |
| LogP ≤ 5 | 33.22 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 15 |
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of Bis(dimethyl(phenyl)phosphanium);3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;2-methyl-6-phenylpyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The IUPAC name of Bis(dimethyl(phenyl)phosphanium);3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;2-methyl-6-phenylpyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 159412663) is bis(dimethyl(phenyl)phosphanium);3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;2-methyl-6-phenylpyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.
What is the SMILES notation for Bis(dimethyl(phenyl)phosphanium);3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;2-methyl-6-phenylpyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The canonical SMILES for Bis(dimethyl(phenyl)phosphanium);3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;2-methyl-6-phenylpyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is CC(=O)C=C(C)O.C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc[c-]c(-c2cc(C)ccn2)c1.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccnc1-c1[c-]cccc1.Cc1ccnc(-c2[c-]cccc2)c1.Cc1ccnc(-c2[c-]cccc2)c1C.Cc1cnc(-c2[c-]cccc2)c(C)c1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Os+2].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2n1-c1ccccc1.
What is the InChIKey of Bis(dimethyl(phenyl)phosphanium);3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;2-methyl-6-phenylpyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The InChIKey is SNTKUPBEMRDPDH-UHFFFAOYSA-P. The full InChI is InChI=1S/C19H13N2.3C13H12N.3C12H10N.C11H8N.C9H5F3N3.C9H8N3.2C8H11P.C5H8O2.8Ir.Os/c1-3-9-15(10-4-1)19-20-17-13-7-8-14-18(17)21(19)16-11-5-2-6-12-16;1-10-4-3-5-12(8-10)13-9-11(2)6-7-14-13;1-10-8-11(2)13(14-9-10)12-6-4-3-5-7-12;1-10-8-9-14-13(11(10)2)12-6-4-3-5-7-12;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-7-6-9(12-11-7)8-4-2-3-5-10-8;2*1-9(2)8-6-4-3-5-7-8;1-4(6)3-5(2)7;;;;;;;;;/h1-9,11-14H;3-4,6-9H,1-2H3;2*3-6,8-9H,1-2H3;2*2-7,9H,1H3;2-5,7-9H,1H3;1-6,8-9H;1-5H;2-6H,1H3;2*3-7H,1-2H3;3,6H,1-2H3;;;;;;;;;/q10*-1;;;;;;;;;;;;+2/p+2.
What are the key properties of Bis(dimethyl(phenyl)phosphanium);3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;2-methyl-6-phenylpyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
Bis(dimethyl(phenyl)phosphanium);3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;2-methyl-6-phenylpyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 3951.65 g/mol, XLogP of 33.22, 14 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for Bis(dimethyl(phenyl)phosphanium);3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;2-methyl-6-phenylpyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 159412663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159412663 — identifiers, structure, computed properties (public domain)
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