dimethyl(phenyl)phosphanium;3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;bis(4-hydroxypent-3-en-2-one);octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium;1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;propan-2-ylbenzene;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C158H143F3Ir8N15O4OsP-10 — CID 158067014

IUPACdimethyl(phenyl)phosphanium;3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;bis(4-hydroxypent-3-en-2-one);octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium;1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;propan-2-ylbenzene;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.C[C-](C)c1ccccc1.C[PH+](C)c1ccccc1.Cc1cc(-c2[c-]ccc3ccccc23)nc2ccccc12.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc[c-]c(-c2cc(C)ccn2)c1.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].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C20H14N.C19H13N2.3C13H12N.2C12H10N.C11H8N.C9H5F3N3.C9H8N3.C9H11.C8H11P.2C5H8O2.8Ir.Os/c1-14-13-20(21-19-12-5-4-9-16(14)19)18-11-6-8-15-7-2-3-10-17(15)18;1-3-9-15(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;1-10-7-8-13-12(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;1-8(2)9-6-4-3-5-7-9;1-9(2)8-6-4-3-5-7-8;2*1-4(6)3-5(2)7;;;;;;;;;/h2-10,12-13H,1H3;1-9,11-14H;3-4,6-9H,1-2H3;2*3-6,8-9H,1-2H3;2-7,9H,1H3;2-5,7-9H,1H3;1-6,8-9H;1-5H;2-6H,1H3;2*3-7H,1-2H3;2*3,6H,1-2H3;;;;;;;;;/q11*-1;;;;;;;;;;;;/p+1
InChIKeyZQUYXILTZPBKDR-UHFFFAOYSA-O
MW4131.92 g/mol
LogP37.43
Rot. Bonds15

About dimethyl(phenyl)phosphanium;3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;bis(4-hydroxypent-3-en-2-one);octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium;1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;propan-2-ylbenzene;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

dimethyl(phenyl)phosphanium;3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;bis(4-hydroxypent-3-en-2-one);octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium;1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;propan-2-ylbenzene;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 158067014) has the molecular formula C158H143F3Ir8N15O4OsP-10 and a molecular weight of 4131.92 g/mol. Its IUPAC name is dimethyl(phenyl)phosphanium;3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;bis(4-hydroxypent-3-en-2-one);octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium;1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;propan-2-ylbenzene;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

Compound Namedimethyl(phenyl)phosphanium;3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;bis(4-hydroxypent-3-en-2-one);octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium;1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;propan-2-ylbenzene;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
PubChem CID158067014
Molecular FormulaC158H143F3Ir8N15O4OsP-10
Molecular Weight4131.92 g/mol
Exact Mass4137.78
IUPAC Namedimethyl(phenyl)phosphanium;3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;bis(4-hydroxypent-3-en-2-one);octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium;1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;propan-2-ylbenzene;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.C[C-](C)c1ccccc1.C[PH+](C)c1ccccc1.Cc1cc(-c2[c-]ccc3ccccc23)nc2ccccc12.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc[c-]c(-c2cc(C)ccn2)c1.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].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C20H14N.C19H13N2.3C13H12N.2C12H10N.C11H8N.C9H5F3N3.C9H8N3.C9H11.C8H11P.2C5H8O2.8Ir.Os/c1-14-13-20(21-19-12-5-4-9-16(14)19)18-11-6-8-15-7-2-3-10-17(15)18;1-3-9-15(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;1-10-7-8-13-12(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;1-8(2)9-6-4-3-5-7-9;1-9(2)8-6-4-3-5-7-8;2*1-4(6)3-5(2)7;;;;;;;;;/h2-10,12-13H,1H3;1-9,11-14H;3-4,6-9H,1-2H3;2*3-6,8-9H,1-2H3;2-7,9H,1H3;2-5,7-9H,1H3;1-6,8-9H;1-5H;2-6H,1H3;2*3-7H,1-2H3;2*3,6H,1-2H3;;;;;;;;;/q11*-1;;;;;;;;;;;;/p+1
InChIKeyZQUYXILTZPBKDR-UHFFFAOYSA-O
XLogP37.43
TPSA262.41 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds15
Heavy Atoms190
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004131.92
LogP ≤ 537.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

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'}

Analyze dimethyl(phenyl)phosphanium;3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;bis(4-hydroxypent-3-en-2-one);octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium;1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;propan-2-ylbenzene;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of dimethyl(phenyl)phosphanium;3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;bis(4-hydroxypent-3-en-2-one);octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium;1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;propan-2-ylbenzene;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The IUPAC name of dimethyl(phenyl)phosphanium;3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;bis(4-hydroxypent-3-en-2-one);octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium;1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;propan-2-ylbenzene;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 158067014) is dimethyl(phenyl)phosphanium;3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;bis(4-hydroxypent-3-en-2-one);octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium;1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;propan-2-ylbenzene;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.
What is the SMILES notation for dimethyl(phenyl)phosphanium;3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;bis(4-hydroxypent-3-en-2-one);octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium;1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;propan-2-ylbenzene;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The canonical SMILES for dimethyl(phenyl)phosphanium;3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;bis(4-hydroxypent-3-en-2-one);octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium;1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;propan-2-ylbenzene;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is CC(=O)C=C(C)O.CC(=O)C=C(C)O.C[C-](C)c1ccccc1.C[PH+](C)c1ccccc1.Cc1cc(-c2[c-]ccc3ccccc23)nc2ccccc12.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc[c-]c(-c2cc(C)ccn2)c1.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].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2n1-c1ccccc1.
What is the InChIKey of dimethyl(phenyl)phosphanium;3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;bis(4-hydroxypent-3-en-2-one);octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium;1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;propan-2-ylbenzene;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The InChIKey is ZQUYXILTZPBKDR-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H14N.C19H13N2.3C13H12N.2C12H10N.C11H8N.C9H5F3N3.C9H8N3.C9H11.C8H11P.2C5H8O2.8Ir.Os/c1-14-13-20(21-19-12-5-4-9-16(14)19)18-11-6-8-15-7-2-3-10-17(15)18;1-3-9-15(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;1-10-7-8-13-12(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;1-8(2)9-6-4-3-5-7-9;1-9(2)8-6-4-3-5-7-8;2*1-4(6)3-5(2)7;;;;;;;;;/h2-10,12-13H,1H3;1-9,11-14H;3-4,6-9H,1-2H3;2*3-6,8-9H,1-2H3;2-7,9H,1H3;2-5,7-9H,1H3;1-6,8-9H;1-5H;2-6H,1H3;2*3-7H,1-2H3;2*3,6H,1-2H3;;;;;;;;;/q11*-1;;;;;;;;;;;;/p+1.
What are the key properties of dimethyl(phenyl)phosphanium;3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;bis(4-hydroxypent-3-en-2-one);octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium;1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;propan-2-ylbenzene;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
dimethyl(phenyl)phosphanium;3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;bis(4-hydroxypent-3-en-2-one);octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium;1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;propan-2-ylbenzene;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 4131.92 g/mol, XLogP of 37.43, 15 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(phenyl)phosphanium;3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;bis(4-hydroxypent-3-en-2-one);octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium;1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;propan-2-ylbenzene;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 158067014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).