3,5-diphenyl-2-phenylpyrazine;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-phenylisoquinoline;2-phenylphenol;2-phenylpyridine;platinum;pyridine-2-carboxylic acid;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine

C134H112F3Ir6N10O9Pt-7 — CID 161413281

IUPAC3,5-diphenyl-2-phenylpyrazine;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-phenylisoquinoline;2-phenylphenol;2-phenylpyridine;platinum;pyridine-2-carboxylic acid;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1c[c-]c(-c2ccccn2)cc1.Cc1cc(-c2ccccn2)[c-]c(C(F)(F)F)c1.Cc1cc[c-]c(-c2ccccn2)c1.O=C(O)c1ccccn1.Oc1ccccc1-c1ccccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Pt].[c-]1c(-c2ccccn2)cccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ncc(-c2ccccc2)nc1-c1ccccc1.[c-]1ccccc1-c1nccc2ccccc12
InChIInChI=1S/C22H15N2.C16H11N2.C15H10N.C13H9F3N.2C12H10N.C12H10O.C11H8N.C6H5NO2.3C5H8O2.6Ir.Pt/c1-4-10-17(11-5-1)20-16-23-21(18-12-6-2-7-13-18)22(24-20)19-14-8-3-9-15-19;1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-9-6-10(12-4-2-3-5-17-12)8-11(7-9)13(14,15)16;1-10-5-4-6-11(9-10)12-7-2-3-8-13-12;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-2-6-10(7-3-1)11-8-4-5-9-12-11;8-6(9)5-3-1-2-4-7-5;3*1-4(6)3-5(2)7;;;;;;;/h1-12,14-16H;1-11H;1-7,9-11H;2-7H,1H3;2-5,7-9H,1H3;2-7,9H,1H3;1-9,13H;1-6,8-9H;1-4H,(H,8,9);3*3,6H,1-2H3;;;;;;;/q6*-1;;-1;;;;;;;;;;;
InChIKeyVQARVEAPZVWWRB-UHFFFAOYSA-N
MW3411.80 g/mol
LogP31.66
Rot. Bonds15

About 3,5-diphenyl-2-phenylpyrazine;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-phenylisoquinoline;2-phenylphenol;2-phenylpyridine;platinum;pyridine-2-carboxylic acid;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine

3,5-diphenyl-2-phenylpyrazine;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-phenylisoquinoline;2-phenylphenol;2-phenylpyridine;platinum;pyridine-2-carboxylic acid;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine (PubChem CID 161413281) has the molecular formula C134H112F3Ir6N10O9Pt-7 and a molecular weight of 3411.80 g/mol. Its IUPAC name is 3,5-diphenyl-2-phenylpyrazine;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-phenylisoquinoline;2-phenylphenol;2-phenylpyridine;platinum;pyridine-2-carboxylic acid;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine.

Molecular Properties

Compound Name3,5-diphenyl-2-phenylpyrazine;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-phenylisoquinoline;2-phenylphenol;2-phenylpyridine;platinum;pyridine-2-carboxylic acid;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
PubChem CID161413281
Molecular FormulaC134H112F3Ir6N10O9Pt-7
Molecular Weight3411.80 g/mol
Exact Mass3414.60
IUPAC Name3,5-diphenyl-2-phenylpyrazine;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-phenylisoquinoline;2-phenylphenol;2-phenylpyridine;platinum;pyridine-2-carboxylic acid;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1c[c-]c(-c2ccccn2)cc1.Cc1cc(-c2ccccn2)[c-]c(C(F)(F)F)c1.Cc1cc[c-]c(-c2ccccn2)c1.O=C(O)c1ccccn1.Oc1ccccc1-c1ccccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Pt].[c-]1c(-c2ccccn2)cccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ncc(-c2ccccc2)nc1-c1ccccc1.[c-]1ccccc1-c1nccc2ccccc12
InChIInChI=1S/C22H15N2.C16H11N2.C15H10N.C13H9F3N.2C12H10N.C12H10O.C11H8N.C6H5NO2.3C5H8O2.6Ir.Pt/c1-4-10-17(11-5-1)20-16-23-21(18-12-6-2-7-13-18)22(24-20)19-14-8-3-9-15-19;1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-9-6-10(12-4-2-3-5-17-12)8-11(7-9)13(14,15)16;1-10-5-4-6-11(9-10)12-7-2-3-8-13-12;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-2-6-10(7-3-1)11-8-4-5-9-12-11;8-6(9)5-3-1-2-4-7-5;3*1-4(6)3-5(2)7;;;;;;;/h1-12,14-16H;1-11H;1-7,9-11H;2-7H,1H3;2-5,7-9H,1H3;2-7,9H,1H3;1-9,13H;1-6,8-9H;1-4H,(H,8,9);3*3,6H,1-2H3;;;;;;;/q6*-1;;-1;;;;;;;;;;;
InChIKeyVQARVEAPZVWWRB-UHFFFAOYSA-N
XLogP31.66
TPSA298.33 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003411.80
LogP ≤ 531.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

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'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-diphenyl-2-phenylpyrazine;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-phenylisoquinoline;2-phenylphenol;2-phenylpyridine;platinum;pyridine-2-carboxylic acid;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine?
The IUPAC name of 3,5-diphenyl-2-phenylpyrazine;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-phenylisoquinoline;2-phenylphenol;2-phenylpyridine;platinum;pyridine-2-carboxylic acid;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine (CID 161413281) is 3,5-diphenyl-2-phenylpyrazine;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-phenylisoquinoline;2-phenylphenol;2-phenylpyridine;platinum;pyridine-2-carboxylic acid;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine.
What is the SMILES notation for 3,5-diphenyl-2-phenylpyrazine;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-phenylisoquinoline;2-phenylphenol;2-phenylpyridine;platinum;pyridine-2-carboxylic acid;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine?
The canonical SMILES for 3,5-diphenyl-2-phenylpyrazine;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-phenylisoquinoline;2-phenylphenol;2-phenylpyridine;platinum;pyridine-2-carboxylic acid;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1c[c-]c(-c2ccccn2)cc1.Cc1cc(-c2ccccn2)[c-]c(C(F)(F)F)c1.Cc1cc[c-]c(-c2ccccn2)c1.O=C(O)c1ccccn1.Oc1ccccc1-c1ccccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Pt].[c-]1c(-c2ccccn2)cccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ncc(-c2ccccc2)nc1-c1ccccc1.[c-]1ccccc1-c1nccc2ccccc12.
What is the InChIKey of 3,5-diphenyl-2-phenylpyrazine;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-phenylisoquinoline;2-phenylphenol;2-phenylpyridine;platinum;pyridine-2-carboxylic acid;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine?
The InChIKey is VQARVEAPZVWWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N2.C16H11N2.C15H10N.C13H9F3N.2C12H10N.C12H10O.C11H8N.C6H5NO2.3C5H8O2.6Ir.Pt/c1-4-10-17(11-5-1)20-16-23-21(18-12-6-2-7-13-18)22(24-20)19-14-8-3-9-15-19;1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-9-6-10(12-4-2-3-5-17-12)8-11(7-9)13(14,15)16;1-10-5-4-6-11(9-10)12-7-2-3-8-13-12;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-2-6-10(7-3-1)11-8-4-5-9-12-11;8-6(9)5-3-1-2-4-7-5;3*1-4(6)3-5(2)7;;;;;;;/h1-12,14-16H;1-11H;1-7,9-11H;2-7H,1H3;2-5,7-9H,1H3;2-7,9H,1H3;1-9,13H;1-6,8-9H;1-4H,(H,8,9);3*3,6H,1-2H3;;;;;;;/q6*-1;;-1;;;;;;;;;;;.
What are the key properties of 3,5-diphenyl-2-phenylpyrazine;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-phenylisoquinoline;2-phenylphenol;2-phenylpyridine;platinum;pyridine-2-carboxylic acid;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine?
3,5-diphenyl-2-phenylpyrazine;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-phenylisoquinoline;2-phenylphenol;2-phenylpyridine;platinum;pyridine-2-carboxylic acid;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine has a molecular weight of 3411.80 g/mol, XLogP of 31.66, 15 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenyl-2-phenylpyrazine;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-phenylisoquinoline;2-phenylphenol;2-phenylpyridine;platinum;pyridine-2-carboxylic acid;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine is sourced from PubChem (CID 161413281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).