5-(3,5-dimethylphenyl)-4-methyl-2-phenylpyridine;4-(2,4-dimethylphenyl)-2-phenylpyridine;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)-4-phenylpyridine;4-(3-methylphenyl)-2-phenylpyridine;4-(4-methylphenyl)-2-phenylpyridine

C118H116Ir5N5O10-5 — CID 161259321

IUPAC5-(3,5-dimethylphenyl)-4-methyl-2-phenylpyridine;4-(2,4-dimethylphenyl)-2-phenylpyridine;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)-4-phenylpyridine;4-(3-methylphenyl)-2-phenylpyridine;4-(4-methylphenyl)-2-phenylpyridine
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1cc(C)cc(-c2cnc(-c3[c-]cccc3)cc2C)c1.Cc1cc[c-]c(-c2cc(-c3ccccc3)ccn2)c1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)c(C)c1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1cccc(-c2ccnc(-c3[c-]cccc3)c2)c1.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C20H18N.C19H16N.3C18H14N.5C5H8O2.5Ir/c1-14-9-15(2)11-18(10-14)19-13-21-20(12-16(19)3)17-7-5-4-6-8-17;1-14-8-9-18(15(2)12-14)17-10-11-20-19(13-17)16-6-4-3-5-7-16;1-14-6-5-9-17(12-14)18-13-16(10-11-19-18)15-7-3-2-4-8-15;1-14-6-5-9-16(12-14)17-10-11-19-18(13-17)15-7-3-2-4-8-15;1-14-7-9-15(10-8-14)17-11-12-19-18(13-17)16-5-3-2-4-6-16;5*1-4(6)3-5(2)7;;;;;/h4-7,9-13H,1-3H3;3-6,8-13H,1-2H3;2-8,10-13H,1H3;2-7,9-13H,1H3;2-5,7-13H,1H3;5*3,6H,1-2H3;;;;;/q5*-1;;;;;;;;;;
InChIKeyYALYLOXMXWQSIZ-UHFFFAOYSA-N
MW2725.34 g/mol
LogP28.72
Rot. Bonds15

About 5-(3,5-dimethylphenyl)-4-methyl-2-phenylpyridine;4-(2,4-dimethylphenyl)-2-phenylpyridine;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)-4-phenylpyridine;4-(3-methylphenyl)-2-phenylpyridine;4-(4-methylphenyl)-2-phenylpyridine

5-(3,5-dimethylphenyl)-4-methyl-2-phenylpyridine;4-(2,4-dimethylphenyl)-2-phenylpyridine;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)-4-phenylpyridine;4-(3-methylphenyl)-2-phenylpyridine;4-(4-methylphenyl)-2-phenylpyridine (PubChem CID 161259321) has the molecular formula C118H116Ir5N5O10-5 and a molecular weight of 2725.34 g/mol. Its IUPAC name is 5-(3,5-dimethylphenyl)-4-methyl-2-phenylpyridine;4-(2,4-dimethylphenyl)-2-phenylpyridine;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)-4-phenylpyridine;4-(3-methylphenyl)-2-phenylpyridine;4-(4-methylphenyl)-2-phenylpyridine.

Molecular Properties

Compound Name5-(3,5-dimethylphenyl)-4-methyl-2-phenylpyridine;4-(2,4-dimethylphenyl)-2-phenylpyridine;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)-4-phenylpyridine;4-(3-methylphenyl)-2-phenylpyridine;4-(4-methylphenyl)-2-phenylpyridine
PubChem CID161259321
Molecular FormulaC118H116Ir5N5O10-5
Molecular Weight2725.34 g/mol
Exact Mass2727.69
IUPAC Name5-(3,5-dimethylphenyl)-4-methyl-2-phenylpyridine;4-(2,4-dimethylphenyl)-2-phenylpyridine;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)-4-phenylpyridine;4-(3-methylphenyl)-2-phenylpyridine;4-(4-methylphenyl)-2-phenylpyridine
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1cc(C)cc(-c2cnc(-c3[c-]cccc3)cc2C)c1.Cc1cc[c-]c(-c2cc(-c3ccccc3)ccn2)c1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)c(C)c1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1cccc(-c2ccnc(-c3[c-]cccc3)c2)c1.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C20H18N.C19H16N.3C18H14N.5C5H8O2.5Ir/c1-14-9-15(2)11-18(10-14)19-13-21-20(12-16(19)3)17-7-5-4-6-8-17;1-14-8-9-18(15(2)12-14)17-10-11-20-19(13-17)16-6-4-3-5-7-16;1-14-6-5-9-17(12-14)18-13-16(10-11-19-18)15-7-3-2-4-8-15;1-14-6-5-9-16(12-14)17-10-11-19-18(13-17)15-7-3-2-4-8-15;1-14-7-9-15(10-8-14)17-11-12-19-18(13-17)16-5-3-2-4-6-16;5*1-4(6)3-5(2)7;;;;;/h4-7,9-13H,1-3H3;3-6,8-13H,1-2H3;2-8,10-13H,1H3;2-7,9-13H,1H3;2-5,7-13H,1H3;5*3,6H,1-2H3;;;;;/q5*-1;;;;;;;;;;
InChIKeyYALYLOXMXWQSIZ-UHFFFAOYSA-N
XLogP28.72
TPSA250.95 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002725.34
LogP ≤ 528.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

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 5-(3,5-dimethylphenyl)-4-methyl-2-phenylpyridine;4-(2,4-dimethylphenyl)-2-phenylpyridine;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)-4-phenylpyridine;4-(3-methylphenyl)-2-phenylpyridine;4-(4-methylphenyl)-2-phenylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;4-(2,4-dimethylphenyl)-2-phenylpyridine;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)-4-phenylpyridine;4-(3-methylphenyl)-2-phenylpyridine;4-(4-methylphenyl)-2-phenylpyridine
CID 160614248
4-hydroxypent-3-en-2-one;pentakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;tetrakis(2-(3-methylbenzene-6-id-1-yl)pyridine);tris(4-methyl-5-phenyl-2-phenylpyridine)
CID 161433319
4-hydroxypent-3-en-2-one;pentakis(iridium);tetrakis(2-(3-methylbenzene-6-id-1-yl)pyridine);5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;tris(4-methyl-5-phenyl-2-phenylpyridine)
CID 159227888
2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;4-(2,4-dimethylphenyl)-2-(3-methylbenzene-6-id-1-yl)pyridine;5-(3,5-dimethylphenyl)-4-methyl-2-phenylpyridine;bis(4-hydroxypent-3-en-2-one);4-hydroxy-3-phenylpent-3-en-2-one;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium)
CID 161072573
2-(3H-dibenzofuran-3-id-4-yl)-4,5-dimethylpyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;bis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(6-methyl-3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;bis(5-methyl-2-phenylpyridine);2-phenylpyridine
CID 161178166
5-(4-fluoro-2-methylphenyl)-2-phenylpyridine;tris(iridium);4-(4-methylphenyl)-2-phenylpyridine;tris(5-methyl-2-phenylpyridine);4-phenyl-2-phenylpyridine
CID 158360388
2-(3,5-dimethylbenzene-6-id-1-yl)-4,5-dimethylquinoline;4-(3,5-dimethylphenyl)-2-phenylpyridine;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-phenylpyridine;4-methyl-5-phenyl-2-phenylpyridine;3-methyl-2-phenylpyridine
CID 169428713
2-(3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-7-propylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)quinoline;4-(2,4-dimethylphenyl)-2-phenylpyridine;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)-4-phenylpyridine
CID 159460176
iridium;methanol;4-methyl-5-phenyl-2-phenylpyridine
CID 58435106
5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;bis(iridium);bis(2-phenylpyridine)
CID 160519862
4-hydroxypent-3-en-2-one;tetrakis(iridium);4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-phenylpyridine;4-methyl-5-phenyl-2-phenylpyridine;5-(2,3,4,5,6-pentadeuteriophenyl)-2-phenylpyridine;4-(6-phenyl-3-pyridinyl)benzonitrile
CID 157399670
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-[3-(3-phenylphenyl)benzene-6-id-1-yl]pyridine;iridium(3+)
CID 153457886

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylphenyl)-4-methyl-2-phenylpyridine;4-(2,4-dimethylphenyl)-2-phenylpyridine;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)-4-phenylpyridine;4-(3-methylphenyl)-2-phenylpyridine;4-(4-methylphenyl)-2-phenylpyridine?
The IUPAC name of 5-(3,5-dimethylphenyl)-4-methyl-2-phenylpyridine;4-(2,4-dimethylphenyl)-2-phenylpyridine;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)-4-phenylpyridine;4-(3-methylphenyl)-2-phenylpyridine;4-(4-methylphenyl)-2-phenylpyridine (CID 161259321) is 5-(3,5-dimethylphenyl)-4-methyl-2-phenylpyridine;4-(2,4-dimethylphenyl)-2-phenylpyridine;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)-4-phenylpyridine;4-(3-methylphenyl)-2-phenylpyridine;4-(4-methylphenyl)-2-phenylpyridine.
What is the SMILES notation for 5-(3,5-dimethylphenyl)-4-methyl-2-phenylpyridine;4-(2,4-dimethylphenyl)-2-phenylpyridine;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)-4-phenylpyridine;4-(3-methylphenyl)-2-phenylpyridine;4-(4-methylphenyl)-2-phenylpyridine?
The canonical SMILES for 5-(3,5-dimethylphenyl)-4-methyl-2-phenylpyridine;4-(2,4-dimethylphenyl)-2-phenylpyridine;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)-4-phenylpyridine;4-(3-methylphenyl)-2-phenylpyridine;4-(4-methylphenyl)-2-phenylpyridine 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.CC(=O)C=C(C)O.Cc1cc(C)cc(-c2cnc(-c3[c-]cccc3)cc2C)c1.Cc1cc[c-]c(-c2cc(-c3ccccc3)ccn2)c1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)c(C)c1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1cccc(-c2ccnc(-c3[c-]cccc3)c2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 5-(3,5-dimethylphenyl)-4-methyl-2-phenylpyridine;4-(2,4-dimethylphenyl)-2-phenylpyridine;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)-4-phenylpyridine;4-(3-methylphenyl)-2-phenylpyridine;4-(4-methylphenyl)-2-phenylpyridine?
The InChIKey is YALYLOXMXWQSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N.C19H16N.3C18H14N.5C5H8O2.5Ir/c1-14-9-15(2)11-18(10-14)19-13-21-20(12-16(19)3)17-7-5-4-6-8-17;1-14-8-9-18(15(2)12-14)17-10-11-20-19(13-17)16-6-4-3-5-7-16;1-14-6-5-9-17(12-14)18-13-16(10-11-19-18)15-7-3-2-4-8-15;1-14-6-5-9-16(12-14)17-10-11-19-18(13-17)15-7-3-2-4-8-15;1-14-7-9-15(10-8-14)17-11-12-19-18(13-17)16-5-3-2-4-6-16;5*1-4(6)3-5(2)7;;;;;/h4-7,9-13H,1-3H3;3-6,8-13H,1-2H3;2-8,10-13H,1H3;2-7,9-13H,1H3;2-5,7-13H,1H3;5*3,6H,1-2H3;;;;;/q5*-1;;;;;;;;;;.
What are the key properties of 5-(3,5-dimethylphenyl)-4-methyl-2-phenylpyridine;4-(2,4-dimethylphenyl)-2-phenylpyridine;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)-4-phenylpyridine;4-(3-methylphenyl)-2-phenylpyridine;4-(4-methylphenyl)-2-phenylpyridine?
5-(3,5-dimethylphenyl)-4-methyl-2-phenylpyridine;4-(2,4-dimethylphenyl)-2-phenylpyridine;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)-4-phenylpyridine;4-(3-methylphenyl)-2-phenylpyridine;4-(4-methylphenyl)-2-phenylpyridine has a molecular weight of 2725.34 g/mol, XLogP of 28.72, 15 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylphenyl)-4-methyl-2-phenylpyridine;4-(2,4-dimethylphenyl)-2-phenylpyridine;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)-4-phenylpyridine;4-(3-methylphenyl)-2-phenylpyridine;4-(4-methylphenyl)-2-phenylpyridine is sourced from PubChem (CID 161259321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).