bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);tetrakis(iridium);3-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;5-phenyl-2-phenylpyridine

C87H72Ir4N5-5 — CID 157093305

IUPACbis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);tetrakis(iridium);3-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;5-phenyl-2-phenylpyridine
SMILESCc1[c-]c(-c2cc(C)c(-c3ccccc3)cn2)cc(C)c1.Cc1[c-]c(-c2cc(C)c(-c3ccccc3)cn2)cc(C)c1.Cc1cccnc1-c1[c-]ccc(-c2ccccc2)c1.Cc1cccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccc(-c2ccccc2)cn1
InChIInChI=1S/2C20H18N.C18H14N.C17H12N.C12H10N.4Ir/c2*1-14-9-15(2)11-18(10-14)20-12-16(3)19(13-21-20)17-7-5-4-6-8-17;1-14-7-6-12-19-18(14)17-11-5-10-16(13-17)15-8-3-2-4-9-15;1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;;;;/h2*4-10,12-13H,1-3H3;2-10,12-13H,1H3;1-9,11-13H;2-7,9H,1H3;;;;/q5*-1;;;;
InChIKeyGVPKUMLMFLIHBW-UHFFFAOYSA-N
MW1956.44 g/mol
LogP21.87
Rot. Bonds9

About bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);tetrakis(iridium);3-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;5-phenyl-2-phenylpyridine

bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);tetrakis(iridium);3-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;5-phenyl-2-phenylpyridine (PubChem CID 157093305) has the molecular formula C87H72Ir4N5-5 and a molecular weight of 1956.44 g/mol. Its IUPAC name is bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);tetrakis(iridium);3-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;5-phenyl-2-phenylpyridine.

Molecular Properties

Compound Namebis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);tetrakis(iridium);3-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;5-phenyl-2-phenylpyridine
PubChem CID157093305
Molecular FormulaC87H72Ir4N5-5
Molecular Weight1956.44 g/mol
Exact Mass1958.43
IUPAC Namebis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);tetrakis(iridium);3-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;5-phenyl-2-phenylpyridine
SMILESCc1[c-]c(-c2cc(C)c(-c3ccccc3)cn2)cc(C)c1.Cc1[c-]c(-c2cc(C)c(-c3ccccc3)cn2)cc(C)c1.Cc1cccnc1-c1[c-]ccc(-c2ccccc2)c1.Cc1cccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccc(-c2ccccc2)cn1
InChIInChI=1S/2C20H18N.C18H14N.C17H12N.C12H10N.4Ir/c2*1-14-9-15(2)11-18(10-14)20-12-16(3)19(13-21-20)17-7-5-4-6-8-17;1-14-7-6-12-19-18(14)17-11-5-10-16(13-17)15-8-3-2-4-9-15;1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;;;;/h2*4-10,12-13H,1-3H3;2-10,12-13H,1H3;1-9,11-13H;2-7,9H,1H3;;;;/q5*-1;;;;
InChIKeyGVPKUMLMFLIHBW-UHFFFAOYSA-N
XLogP21.87
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001956.44
LogP ≤ 521.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);tetrakis(iridium);3-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;5-phenyl-2-phenylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);tetrakis(iridium);3-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;5-phenyl-2-phenylpyridine?
The IUPAC name of bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);tetrakis(iridium);3-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;5-phenyl-2-phenylpyridine (CID 157093305) is bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);tetrakis(iridium);3-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;5-phenyl-2-phenylpyridine.
What is the SMILES notation for bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);tetrakis(iridium);3-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;5-phenyl-2-phenylpyridine?
The canonical SMILES for bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);tetrakis(iridium);3-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;5-phenyl-2-phenylpyridine is Cc1[c-]c(-c2cc(C)c(-c3ccccc3)cn2)cc(C)c1.Cc1[c-]c(-c2cc(C)c(-c3ccccc3)cn2)cc(C)c1.Cc1cccnc1-c1[c-]ccc(-c2ccccc2)c1.Cc1cccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.
What is the InChIKey of bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);tetrakis(iridium);3-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;5-phenyl-2-phenylpyridine?
The InChIKey is GVPKUMLMFLIHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H18N.C18H14N.C17H12N.C12H10N.4Ir/c2*1-14-9-15(2)11-18(10-14)20-12-16(3)19(13-21-20)17-7-5-4-6-8-17;1-14-7-6-12-19-18(14)17-11-5-10-16(13-17)15-8-3-2-4-9-15;1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;;;;/h2*4-10,12-13H,1-3H3;2-10,12-13H,1H3;1-9,11-13H;2-7,9H,1H3;;;;/q5*-1;;;;.
What are the key properties of bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);tetrakis(iridium);3-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;5-phenyl-2-phenylpyridine?
bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);tetrakis(iridium);3-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;5-phenyl-2-phenylpyridine has a molecular weight of 1956.44 g/mol, XLogP of 21.87, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);tetrakis(iridium);3-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;5-phenyl-2-phenylpyridine is sourced from PubChem (CID 157093305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).