bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(3,5-dimethyl-1-(3-phenylbenzene-6-id-1-yl)pyrazole);pentakis(iridium);bis(1-(3-phenylbenzene-6-id-1-yl)pyrazole);1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tris(2-phenylpyridine)

C140H103F4Ir5N15-10 — CID 158032152

IUPACbis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(3,5-dimethyl-1-(3-phenylbenzene-6-id-1-yl)pyrazole);pentakis(iridium);bis(1-(3-phenylbenzene-6-id-1-yl)pyrazole);1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tris(2-phenylpyridine)
SMILESCc1cc(C)n(-c2[c-]ccc(-c3ccccc3)c2)n1.Cc1cc(C)n(-c2[c-]ccc(-c3ccccc3)c2)n1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccc(-c3ccccc3)cc2)cc1-n1cccn1.[c-]1ccc(-c2ccccc2)cc1-n1cccn1.[c-]1ccc(-c2ccccc2)cc1-n1cccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C21H15N2.2C17H15N2.2C15H11N2.2C11H6F2N.3C11H8N.5Ir/c1-2-6-17(7-3-1)18-10-12-19(13-11-18)20-8-4-9-21(16-20)23-15-5-14-22-23;2*1-13-11-14(2)19(18-13)17-10-6-9-16(12-17)15-7-4-3-5-8-15;2*1-2-6-13(7-3-1)14-8-4-9-15(12-14)17-11-5-10-16-17;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h1-8,10-16H;2*3-9,11-12H,1-2H3;2*1-8,10-12H;2*1-4,6-7H;3*1-6,8-9H;;;;;/q10*-1;;;;;
InChIKeyLRICWJOMXKCCGY-UHFFFAOYSA-N
MW3032.55 g/mol
LogP32.89
Rot. Bonds16

About bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(3,5-dimethyl-1-(3-phenylbenzene-6-id-1-yl)pyrazole);pentakis(iridium);bis(1-(3-phenylbenzene-6-id-1-yl)pyrazole);1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tris(2-phenylpyridine)

bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(3,5-dimethyl-1-(3-phenylbenzene-6-id-1-yl)pyrazole);pentakis(iridium);bis(1-(3-phenylbenzene-6-id-1-yl)pyrazole);1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tris(2-phenylpyridine) (PubChem CID 158032152) has the molecular formula C140H103F4Ir5N15-10 and a molecular weight of 3032.55 g/mol. Its IUPAC name is bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(3,5-dimethyl-1-(3-phenylbenzene-6-id-1-yl)pyrazole);pentakis(iridium);bis(1-(3-phenylbenzene-6-id-1-yl)pyrazole);1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tris(2-phenylpyridine).

Molecular Properties

Compound Namebis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(3,5-dimethyl-1-(3-phenylbenzene-6-id-1-yl)pyrazole);pentakis(iridium);bis(1-(3-phenylbenzene-6-id-1-yl)pyrazole);1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tris(2-phenylpyridine)
PubChem CID158032152
Molecular FormulaC140H103F4Ir5N15-10
Molecular Weight3032.55 g/mol
Exact Mass3034.67
IUPAC Namebis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(3,5-dimethyl-1-(3-phenylbenzene-6-id-1-yl)pyrazole);pentakis(iridium);bis(1-(3-phenylbenzene-6-id-1-yl)pyrazole);1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tris(2-phenylpyridine)
SMILESCc1cc(C)n(-c2[c-]ccc(-c3ccccc3)c2)n1.Cc1cc(C)n(-c2[c-]ccc(-c3ccccc3)c2)n1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccc(-c3ccccc3)cc2)cc1-n1cccn1.[c-]1ccc(-c2ccccc2)cc1-n1cccn1.[c-]1ccc(-c2ccccc2)cc1-n1cccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C21H15N2.2C17H15N2.2C15H11N2.2C11H6F2N.3C11H8N.5Ir/c1-2-6-17(7-3-1)18-10-12-19(13-11-18)20-8-4-9-21(16-20)23-15-5-14-22-23;2*1-13-11-14(2)19(18-13)17-10-6-9-16(12-17)15-7-4-3-5-8-15;2*1-2-6-13(7-3-1)14-8-4-9-15(12-14)17-11-5-10-16-17;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h1-8,10-16H;2*3-9,11-12H,1-2H3;2*1-8,10-12H;2*1-4,6-7H;3*1-6,8-9H;;;;;/q10*-1;;;;;
InChIKeyLRICWJOMXKCCGY-UHFFFAOYSA-N
XLogP32.89
TPSA153.55 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003032.55
LogP ≤ 532.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(3,5-dimethyl-1-(3-phenylbenzene-6-id-1-yl)pyrazole);pentakis(iridium);bis(1-(3-phenylbenzene-6-id-1-yl)pyrazole);1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tris(2-phenylpyridine) with MolForge

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Related Compounds

Dicopper;acetonitrile;2,6-bis[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 139160035
Gross107 (Sudhakar)
CID 139174614
[4-[4-[2-(2,4-Difluorobenzene-6-id-1-yl)-4-pyridinyl]hexan-2-yl]phenyl]-diphenyl-(2-pyridin-3-ylphenyl)silane;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57703338
CID 58510484
CID 58510484
2-[2-Methyl-4-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]pyridine;2-pyridin-2-ylpyridine;ruthenium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 58510488
Bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));bis(iridium);bis(1-phenylisoquinoline);bis(2-phenylpyrazine)
CID 59010556
bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));bis(iridium);bis(1-phenylisoquinoline);bis(3-pyridin-2-yl-4H-pyridin-4-ide)
CID 59010559
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;iridium(3+);bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 59729586
2-(2,4-Difluorobenzene-6-id-1-yl)-4-methylpyridine;iridium(3+);bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 59729592
2-(2,4-Difluorobenzene-6-id-1-yl)-4-methylpyridine;iridium(3+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 59729601
2-[3,5-Bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;bis(1-[(2,4-difluorobenzene-6-id-1-yl)methyl]pyrazole);iridium(3+)
CID 59757578
7-[3-[1-[[(1S,3R)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]-4-[(2S,4S)-4-fluoro-2-[[4-[2-[4-[(2S,4R)-4-fluoro-2-[[4-(6-methyl-2-quinolin-7-yl-3-pyridinyl)pyrazol-1-yl]methyl]cyclopentyl]quinolin-7-yl]-6-methyl-3-pyridinyl]pyrazol-1-yl]methyl]cyclopentyl]quinoline
CID 137388803

Frequently Asked Questions

What is the IUPAC name of bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(3,5-dimethyl-1-(3-phenylbenzene-6-id-1-yl)pyrazole);pentakis(iridium);bis(1-(3-phenylbenzene-6-id-1-yl)pyrazole);1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tris(2-phenylpyridine)?
The IUPAC name of bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(3,5-dimethyl-1-(3-phenylbenzene-6-id-1-yl)pyrazole);pentakis(iridium);bis(1-(3-phenylbenzene-6-id-1-yl)pyrazole);1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tris(2-phenylpyridine) (CID 158032152) is bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(3,5-dimethyl-1-(3-phenylbenzene-6-id-1-yl)pyrazole);pentakis(iridium);bis(1-(3-phenylbenzene-6-id-1-yl)pyrazole);1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tris(2-phenylpyridine).
What is the SMILES notation for bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(3,5-dimethyl-1-(3-phenylbenzene-6-id-1-yl)pyrazole);pentakis(iridium);bis(1-(3-phenylbenzene-6-id-1-yl)pyrazole);1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tris(2-phenylpyridine)?
The canonical SMILES for bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(3,5-dimethyl-1-(3-phenylbenzene-6-id-1-yl)pyrazole);pentakis(iridium);bis(1-(3-phenylbenzene-6-id-1-yl)pyrazole);1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tris(2-phenylpyridine) is Cc1cc(C)n(-c2[c-]ccc(-c3ccccc3)c2)n1.Cc1cc(C)n(-c2[c-]ccc(-c3ccccc3)c2)n1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccc(-c3ccccc3)cc2)cc1-n1cccn1.[c-]1ccc(-c2ccccc2)cc1-n1cccn1.[c-]1ccc(-c2ccccc2)cc1-n1cccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(3,5-dimethyl-1-(3-phenylbenzene-6-id-1-yl)pyrazole);pentakis(iridium);bis(1-(3-phenylbenzene-6-id-1-yl)pyrazole);1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tris(2-phenylpyridine)?
The InChIKey is LRICWJOMXKCCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N2.2C17H15N2.2C15H11N2.2C11H6F2N.3C11H8N.5Ir/c1-2-6-17(7-3-1)18-10-12-19(13-11-18)20-8-4-9-21(16-20)23-15-5-14-22-23;2*1-13-11-14(2)19(18-13)17-10-6-9-16(12-17)15-7-4-3-5-8-15;2*1-2-6-13(7-3-1)14-8-4-9-15(12-14)17-11-5-10-16-17;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h1-8,10-16H;2*3-9,11-12H,1-2H3;2*1-8,10-12H;2*1-4,6-7H;3*1-6,8-9H;;;;;/q10*-1;;;;;.
What are the key properties of bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(3,5-dimethyl-1-(3-phenylbenzene-6-id-1-yl)pyrazole);pentakis(iridium);bis(1-(3-phenylbenzene-6-id-1-yl)pyrazole);1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tris(2-phenylpyridine)?
bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(3,5-dimethyl-1-(3-phenylbenzene-6-id-1-yl)pyrazole);pentakis(iridium);bis(1-(3-phenylbenzene-6-id-1-yl)pyrazole);1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tris(2-phenylpyridine) has a molecular weight of 3032.55 g/mol, XLogP of 32.89, 16 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(3,5-dimethyl-1-(3-phenylbenzene-6-id-1-yl)pyrazole);pentakis(iridium);bis(1-(3-phenylbenzene-6-id-1-yl)pyrazole);1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tris(2-phenylpyridine) is sourced from PubChem (CID 158032152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).