bis(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);carbanide;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(2,6-di(phenyl)pyridine);iridium;tetrakis(iridium(3+));bis(2-phenylpyridine);triphenoxyphosphanium;tris(triphenylphosphanium)

C213H148F14Ir5N10O3P4 — CID 157084841

IUPACbis(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);carbanide;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(2,6-di(phenyl)pyridine);iridium;tetrakis(iridium(3+));bis(2-phenylpyridine);triphenoxyphosphanium;tris(triphenylphosphanium)
SMILESFc1c[c-]c(-c2cccc(-c3[c-]cc(F)cc3F)n2)c(F)c1.Fc1c[c-]c(-c2cccc(-c3[c-]cc(F)cc3F)n2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[CH3-].[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir].[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1.[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1.[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(O[PH+](Oc2ccccc2)Oc2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H16O3P.3C18H15P.2C17H7F4N.3C17H11N.3C11H6F2N.2C11H8N.CH3.5Ir/c1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*18-10-4-6-12(14(20)8-10)16-2-1-3-17(22-16)13-7-5-11(19)9-15(13)21;3*1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15;3*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;;/h1-15,22H;3*1-15H;2*1-5,8-9H;3*1-8,10,12-13H;3*1-4,6-7H;2*1-6,8-9H;1H3;;;;;/q+1;;;;5*-2;6*-1;;4*+3/p+3
InChIKeyVNQLCMSLKOLMLR-UHFFFAOYSA-Q
MW4246.55 g/mol
LogP49.92
Rot. Bonds30

About bis(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);carbanide;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(2,6-di(phenyl)pyridine);iridium;tetrakis(iridium(3+));bis(2-phenylpyridine);triphenoxyphosphanium;tris(triphenylphosphanium)

bis(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);carbanide;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(2,6-di(phenyl)pyridine);iridium;tetrakis(iridium(3+));bis(2-phenylpyridine);triphenoxyphosphanium;tris(triphenylphosphanium) (PubChem CID 157084841) has the molecular formula C213H148F14Ir5N10O3P4 and a molecular weight of 4246.55 g/mol. Its IUPAC name is bis(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);carbanide;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(2,6-di(phenyl)pyridine);iridium;tetrakis(iridium(3+));bis(2-phenylpyridine);triphenoxyphosphanium;tris(triphenylphosphanium).

Molecular Properties

Compound Namebis(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);carbanide;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(2,6-di(phenyl)pyridine);iridium;tetrakis(iridium(3+));bis(2-phenylpyridine);triphenoxyphosphanium;tris(triphenylphosphanium)
PubChem CID157084841
Molecular FormulaC213H148F14Ir5N10O3P4
Molecular Weight4246.55 g/mol
Exact Mass4247.86
IUPAC Namebis(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);carbanide;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(2,6-di(phenyl)pyridine);iridium;tetrakis(iridium(3+));bis(2-phenylpyridine);triphenoxyphosphanium;tris(triphenylphosphanium)
SMILESFc1c[c-]c(-c2cccc(-c3[c-]cc(F)cc3F)n2)c(F)c1.Fc1c[c-]c(-c2cccc(-c3[c-]cc(F)cc3F)n2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[CH3-].[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir].[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1.[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1.[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(O[PH+](Oc2ccccc2)Oc2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H16O3P.3C18H15P.2C17H7F4N.3C17H11N.3C11H6F2N.2C11H8N.CH3.5Ir/c1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*18-10-4-6-12(14(20)8-10)16-2-1-3-17(22-16)13-7-5-11(19)9-15(13)21;3*1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15;3*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;;/h1-15,22H;3*1-15H;2*1-5,8-9H;3*1-8,10,12-13H;3*1-4,6-7H;2*1-6,8-9H;1H3;;;;;/q+1;;;;5*-2;6*-1;;4*+3/p+3
InChIKeyVNQLCMSLKOLMLR-UHFFFAOYSA-Q
XLogP49.92
TPSA156.59 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds30
Heavy Atoms249
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004246.55
LogP ≤ 549.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze bis(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);carbanide;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(2,6-di(phenyl)pyridine);iridium;tetrakis(iridium(3+));bis(2-phenylpyridine);triphenoxyphosphanium;tris(triphenylphosphanium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);carbanide;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(2,6-di(phenyl)pyridine);iridium;tetrakis(iridium(3+));bis(2-phenylpyridine);triphenoxyphosphanium;tris(triphenylphosphanium)?
The IUPAC name of bis(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);carbanide;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(2,6-di(phenyl)pyridine);iridium;tetrakis(iridium(3+));bis(2-phenylpyridine);triphenoxyphosphanium;tris(triphenylphosphanium) (CID 157084841) is bis(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);carbanide;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(2,6-di(phenyl)pyridine);iridium;tetrakis(iridium(3+));bis(2-phenylpyridine);triphenoxyphosphanium;tris(triphenylphosphanium).
What is the SMILES notation for bis(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);carbanide;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(2,6-di(phenyl)pyridine);iridium;tetrakis(iridium(3+));bis(2-phenylpyridine);triphenoxyphosphanium;tris(triphenylphosphanium)?
The canonical SMILES for bis(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);carbanide;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(2,6-di(phenyl)pyridine);iridium;tetrakis(iridium(3+));bis(2-phenylpyridine);triphenoxyphosphanium;tris(triphenylphosphanium) is Fc1c[c-]c(-c2cccc(-c3[c-]cc(F)cc3F)n2)c(F)c1.Fc1c[c-]c(-c2cccc(-c3[c-]cc(F)cc3F)n2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[CH3-].[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir].[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1.[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1.[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(O[PH+](Oc2ccccc2)Oc2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);carbanide;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(2,6-di(phenyl)pyridine);iridium;tetrakis(iridium(3+));bis(2-phenylpyridine);triphenoxyphosphanium;tris(triphenylphosphanium)?
The InChIKey is VNQLCMSLKOLMLR-UHFFFAOYSA-Q. The full InChI is InChI=1S/C18H16O3P.3C18H15P.2C17H7F4N.3C17H11N.3C11H6F2N.2C11H8N.CH3.5Ir/c1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*18-10-4-6-12(14(20)8-10)16-2-1-3-17(22-16)13-7-5-11(19)9-15(13)21;3*1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15;3*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;;/h1-15,22H;3*1-15H;2*1-5,8-9H;3*1-8,10,12-13H;3*1-4,6-7H;2*1-6,8-9H;1H3;;;;;/q+1;;;;5*-2;6*-1;;4*+3/p+3.
What are the key properties of bis(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);carbanide;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(2,6-di(phenyl)pyridine);iridium;tetrakis(iridium(3+));bis(2-phenylpyridine);triphenoxyphosphanium;tris(triphenylphosphanium)?
bis(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);carbanide;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(2,6-di(phenyl)pyridine);iridium;tetrakis(iridium(3+));bis(2-phenylpyridine);triphenoxyphosphanium;tris(triphenylphosphanium) has a molecular weight of 4246.55 g/mol, XLogP of 49.92, 30 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);carbanide;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(2,6-di(phenyl)pyridine);iridium;tetrakis(iridium(3+));bis(2-phenylpyridine);triphenoxyphosphanium;tris(triphenylphosphanium) is sourced from PubChem (CID 157084841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).