4-(2,6-dimethylphenyl)-2-phenylpyridine;4-fluoro-2-phenylpyridine;4-hydroxypent-3-en-2-one;hexakis(iridium);5-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;4-phenyl-2-phenylpyridine;1-phenylpyrazole;tris(2-phenylpyridine)

C123H96FIr6N10O2-9 — CID 159749794

IUPAC4-(2,6-dimethylphenyl)-2-phenylpyridine;4-fluoro-2-phenylpyridine;4-hydroxypent-3-en-2-one;hexakis(iridium);5-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;4-phenyl-2-phenylpyridine;1-phenylpyrazole;tris(2-phenylpyridine)
SMILESCC(=O)C=C(C)O.Cc1ccc(-c2[c-]cccc2)nc1.Cc1cccc(C)c1-c1ccnc(-c2[c-]cccc2)c1.Fc1ccnc(-c2[c-]cccc2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1ccccc1-c1cc(-c2ccccc2)ccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-n1cccn1
InChIInChI=1S/C19H16N.2C17H12N.C12H10N.C11H7FN.3C11H8N.C9H7N2.C5H8O2.6Ir/c1-14-7-6-8-15(2)19(14)17-11-12-20-18(13-17)16-9-4-3-5-10-16;1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;12-10-6-7-13-11(8-10)9-4-2-1-3-5-9;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-5-9(6-3-1)11-8-4-7-10-11;1-4(6)3-5(2)7;;;;;;/h3-9,11-13H,1-2H3;2*1-9,11-13H;2-5,7-9H,1H3;1-4,6-8H;3*1-6,8-9H;1-5,7-8H;3,6H,1-2H3;;;;;;/q9*-1;;;;;;;
InChIKeyIYSOMAOHTCHIRX-UHFFFAOYSA-N
MW2918.49 g/mol
LogP29.15
Rot. Bonds13

About 4-(2,6-dimethylphenyl)-2-phenylpyridine;4-fluoro-2-phenylpyridine;4-hydroxypent-3-en-2-one;hexakis(iridium);5-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;4-phenyl-2-phenylpyridine;1-phenylpyrazole;tris(2-phenylpyridine)

4-(2,6-dimethylphenyl)-2-phenylpyridine;4-fluoro-2-phenylpyridine;4-hydroxypent-3-en-2-one;hexakis(iridium);5-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;4-phenyl-2-phenylpyridine;1-phenylpyrazole;tris(2-phenylpyridine) (PubChem CID 159749794) has the molecular formula C123H96FIr6N10O2-9 and a molecular weight of 2918.49 g/mol. Its IUPAC name is 4-(2,6-dimethylphenyl)-2-phenylpyridine;4-fluoro-2-phenylpyridine;4-hydroxypent-3-en-2-one;hexakis(iridium);5-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;4-phenyl-2-phenylpyridine;1-phenylpyrazole;tris(2-phenylpyridine).

Molecular Properties

Compound Name4-(2,6-dimethylphenyl)-2-phenylpyridine;4-fluoro-2-phenylpyridine;4-hydroxypent-3-en-2-one;hexakis(iridium);5-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;4-phenyl-2-phenylpyridine;1-phenylpyrazole;tris(2-phenylpyridine)
PubChem CID159749794
Molecular FormulaC123H96FIr6N10O2-9
Molecular Weight2918.49 g/mol
Exact Mass2921.55
IUPAC Name4-(2,6-dimethylphenyl)-2-phenylpyridine;4-fluoro-2-phenylpyridine;4-hydroxypent-3-en-2-one;hexakis(iridium);5-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;4-phenyl-2-phenylpyridine;1-phenylpyrazole;tris(2-phenylpyridine)
SMILESCC(=O)C=C(C)O.Cc1ccc(-c2[c-]cccc2)nc1.Cc1cccc(C)c1-c1ccnc(-c2[c-]cccc2)c1.Fc1ccnc(-c2[c-]cccc2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1ccccc1-c1cc(-c2ccccc2)ccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-n1cccn1
InChIInChI=1S/C19H16N.2C17H12N.C12H10N.C11H7FN.3C11H8N.C9H7N2.C5H8O2.6Ir/c1-14-7-6-8-15(2)19(14)17-11-12-20-18(13-17)16-9-4-3-5-10-16;1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;12-10-6-7-13-11(8-10)9-4-2-1-3-5-9;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-5-9(6-3-1)11-8-4-7-10-11;1-4(6)3-5(2)7;;;;;;/h3-9,11-13H,1-2H3;2*1-9,11-13H;2-5,7-9H,1H3;1-4,6-8H;3*1-6,8-9H;1-5,7-8H;3,6H,1-2H3;;;;;;/q9*-1;;;;;;;
InChIKeyIYSOMAOHTCHIRX-UHFFFAOYSA-N
XLogP29.15
TPSA158.24 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002918.49
LogP ≤ 529.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

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'}

Analyze 4-(2,6-dimethylphenyl)-2-phenylpyridine;4-fluoro-2-phenylpyridine;4-hydroxypent-3-en-2-one;hexakis(iridium);5-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;4-phenyl-2-phenylpyridine;1-phenylpyrazole;tris(2-phenylpyridine) with MolForge

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Related Compounds

Bis(4-methyl-5-(2-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);2-pyridin-2-ylpyridine
CID 140775454
4-(2,6-dimethylphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-prop-1-enyl]-2,6-bis[4-[(E)-prop-1-enyl]-2-pyridinyl]pyridine;ruthenium(2+)
CID 153445638
4-(2,6-Dimethylphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-ethenyl-2,6-bis(4-ethenyl-2-pyridinyl)pyridine;ruthenium(2+)
CID 153445775
CID 157159964
CID 157159964
CID 157168641
CID 157168641
2-[3,4-Bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methyl-5-(2-methylphenyl)pyridine;bis(2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-3-methyl-5-phenylpyridine);carbanide;2-(4,5-dimethylpyrazol-2-id-3-yl)-4-methyl-5-(2-methylphenyl)pyridine;bis(2-(4,5-dimethylpyrazol-2-id-3-yl)-3-methyl-5-phenylpyridine);tris(osmium(4+))
CID 157201160
3-chloro-6-phenylpyridazine;bis(4-hydroxypent-3-en-2-one);hexakis(iridium);4-isocyano-2-(2H-naphthalen-2-id-1-yl)pyridine;bis(3-methyl-2-phenylpyridine);1-(3H-naphthalen-3-id-2-yl)isoquinoline;2-phenyl-5-(trifluoromethyl)pyridine
CID 157552389
2-[3,4-Bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;bis(2-(4,5-difluoropyrazol-2-id-3-yl)pyridine);tris(2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine);pentakis(iridium);4-methyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 157589620
CID 157624636
CID 157624636
Carbanide;bis(5-(2,6-dimethylphenyl)-2-(5-methylpyrazol-2-id-3-yl)pyridine);bis(5-(2,6-dimethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-methyl-5-(2-methylphenyl)-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-methyl-5-(2-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(osmium(4+))
CID 157770065
2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;bis(iridium);1-phenylpyrazole;platinum;bis(platinum(2+));bis(pyrazol-1-ide)
CID 157952723
bis(3-chloro-6-phenylpyridazine);tetrakis(4-hydroxypent-3-en-2-one);hexakis(iridium);4-isocyano-2-(2H-naphthalen-2-id-1-yl)pyridine;3-methyl-2-phenylpyridine;2-(1H-naphthalen-1-id-2-yl)pyrazine;2-phenyl-5-(trifluoromethyl)pyridine
CID 158115692

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylphenyl)-2-phenylpyridine;4-fluoro-2-phenylpyridine;4-hydroxypent-3-en-2-one;hexakis(iridium);5-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;4-phenyl-2-phenylpyridine;1-phenylpyrazole;tris(2-phenylpyridine)?
The IUPAC name of 4-(2,6-dimethylphenyl)-2-phenylpyridine;4-fluoro-2-phenylpyridine;4-hydroxypent-3-en-2-one;hexakis(iridium);5-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;4-phenyl-2-phenylpyridine;1-phenylpyrazole;tris(2-phenylpyridine) (CID 159749794) is 4-(2,6-dimethylphenyl)-2-phenylpyridine;4-fluoro-2-phenylpyridine;4-hydroxypent-3-en-2-one;hexakis(iridium);5-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;4-phenyl-2-phenylpyridine;1-phenylpyrazole;tris(2-phenylpyridine).
What is the SMILES notation for 4-(2,6-dimethylphenyl)-2-phenylpyridine;4-fluoro-2-phenylpyridine;4-hydroxypent-3-en-2-one;hexakis(iridium);5-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;4-phenyl-2-phenylpyridine;1-phenylpyrazole;tris(2-phenylpyridine)?
The canonical SMILES for 4-(2,6-dimethylphenyl)-2-phenylpyridine;4-fluoro-2-phenylpyridine;4-hydroxypent-3-en-2-one;hexakis(iridium);5-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;4-phenyl-2-phenylpyridine;1-phenylpyrazole;tris(2-phenylpyridine) is CC(=O)C=C(C)O.Cc1ccc(-c2[c-]cccc2)nc1.Cc1cccc(C)c1-c1ccnc(-c2[c-]cccc2)c1.Fc1ccnc(-c2[c-]cccc2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1ccccc1-c1cc(-c2ccccc2)ccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-n1cccn1.
What is the InChIKey of 4-(2,6-dimethylphenyl)-2-phenylpyridine;4-fluoro-2-phenylpyridine;4-hydroxypent-3-en-2-one;hexakis(iridium);5-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;4-phenyl-2-phenylpyridine;1-phenylpyrazole;tris(2-phenylpyridine)?
The InChIKey is IYSOMAOHTCHIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N.2C17H12N.C12H10N.C11H7FN.3C11H8N.C9H7N2.C5H8O2.6Ir/c1-14-7-6-8-15(2)19(14)17-11-12-20-18(13-17)16-9-4-3-5-10-16;1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;12-10-6-7-13-11(8-10)9-4-2-1-3-5-9;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-5-9(6-3-1)11-8-4-7-10-11;1-4(6)3-5(2)7;;;;;;/h3-9,11-13H,1-2H3;2*1-9,11-13H;2-5,7-9H,1H3;1-4,6-8H;3*1-6,8-9H;1-5,7-8H;3,6H,1-2H3;;;;;;/q9*-1;;;;;;;.
What are the key properties of 4-(2,6-dimethylphenyl)-2-phenylpyridine;4-fluoro-2-phenylpyridine;4-hydroxypent-3-en-2-one;hexakis(iridium);5-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;4-phenyl-2-phenylpyridine;1-phenylpyrazole;tris(2-phenylpyridine)?
4-(2,6-dimethylphenyl)-2-phenylpyridine;4-fluoro-2-phenylpyridine;4-hydroxypent-3-en-2-one;hexakis(iridium);5-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;4-phenyl-2-phenylpyridine;1-phenylpyrazole;tris(2-phenylpyridine) has a molecular weight of 2918.49 g/mol, XLogP of 29.15, 13 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylphenyl)-2-phenylpyridine;4-fluoro-2-phenylpyridine;4-hydroxypent-3-en-2-one;hexakis(iridium);5-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;4-phenyl-2-phenylpyridine;1-phenylpyrazole;tris(2-phenylpyridine) is sourced from PubChem (CID 159749794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).