2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;tris(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;hexakis(iridium);1-(3-phenylbenzene-6-id-1-yl)pyrazole;1-(4-phenylbenzene-6-id-1-yl)pyrazole;4-phenyl-1-phenylpyrazole

C108H73F12Ir6N16O-9 — CID 158122483

IUPAC2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;tris(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;hexakis(iridium);1-(3-phenylbenzene-6-id-1-yl)pyrazole;1-(4-phenylbenzene-6-id-1-yl)pyrazole;4-phenyl-1-phenylpyrazole
SMILESCN(C)c1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-n2cccn2)c(F)c1.Fc1c[c-]c(-n2cccn2)c(F)c1.Fc1c[c-]c(-n2cccn2)c(F)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc(-c2ccccc2)ccc1-n1cccn1.[c-]1ccc(-c2ccccc2)cc1-n1cccn1.[c-]1ccccc1-n1cc(-c2ccccc2)cn1
InChIInChI=1S/3C15H11N2.C13H11F2N2.C12H8F2NO.C11H6F2N.3C9H5F2N2.6Ir/c1-3-7-13(8-4-1)14-11-16-17(12-14)15-9-5-2-6-10-15;1-2-6-13(7-3-1)14-8-4-9-15(12-14)17-11-5-10-16-17;1-2-5-13(6-3-1)14-7-9-15(10-8-14)17-12-4-11-16-17;1-17(2)10-5-6-16-13(8-10)11-4-3-9(14)7-12(11)15;1-16-9-4-5-15-12(7-9)10-3-2-8(13)6-11(10)14;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;3*10-7-2-3-9(8(11)6-7)13-5-1-4-12-13;;;;;;/h1-9,11-12H;1-8,10-12H;1-9,11-12H;3,5-8H,1-2H3;2,4-7H,1H3;1-4,6-7H;3*1-2,4-6H;;;;;;/q9*-1;;;;;;
InChIKeyIVHQOQKGFHIMJC-UHFFFAOYSA-N
MW2992.16 g/mol
LogP24.41
Rot. Bonds14

About 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;tris(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;hexakis(iridium);1-(3-phenylbenzene-6-id-1-yl)pyrazole;1-(4-phenylbenzene-6-id-1-yl)pyrazole;4-phenyl-1-phenylpyrazole

2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;tris(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;hexakis(iridium);1-(3-phenylbenzene-6-id-1-yl)pyrazole;1-(4-phenylbenzene-6-id-1-yl)pyrazole;4-phenyl-1-phenylpyrazole (PubChem CID 158122483) has the molecular formula C108H73F12Ir6N16O-9 and a molecular weight of 2992.16 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;tris(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;hexakis(iridium);1-(3-phenylbenzene-6-id-1-yl)pyrazole;1-(4-phenylbenzene-6-id-1-yl)pyrazole;4-phenyl-1-phenylpyrazole.

Molecular Properties

Compound Name2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;tris(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;hexakis(iridium);1-(3-phenylbenzene-6-id-1-yl)pyrazole;1-(4-phenylbenzene-6-id-1-yl)pyrazole;4-phenyl-1-phenylpyrazole
PubChem CID158122483
Molecular FormulaC108H73F12Ir6N16O-9
Molecular Weight2992.16 g/mol
Exact Mass2995.38
IUPAC Name2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;tris(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;hexakis(iridium);1-(3-phenylbenzene-6-id-1-yl)pyrazole;1-(4-phenylbenzene-6-id-1-yl)pyrazole;4-phenyl-1-phenylpyrazole
SMILESCN(C)c1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-n2cccn2)c(F)c1.Fc1c[c-]c(-n2cccn2)c(F)c1.Fc1c[c-]c(-n2cccn2)c(F)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc(-c2ccccc2)ccc1-n1cccn1.[c-]1ccc(-c2ccccc2)cc1-n1cccn1.[c-]1ccccc1-n1cc(-c2ccccc2)cn1
InChIInChI=1S/3C15H11N2.C13H11F2N2.C12H8F2NO.C11H6F2N.3C9H5F2N2.6Ir/c1-3-7-13(8-4-1)14-11-16-17(12-14)15-9-5-2-6-10-15;1-2-6-13(7-3-1)14-8-4-9-15(12-14)17-11-5-10-16-17;1-2-5-13(6-3-1)14-7-9-15(10-8-14)17-12-4-11-16-17;1-17(2)10-5-6-16-13(8-10)11-4-3-9(14)7-12(11)15;1-16-9-4-5-15-12(7-9)10-3-2-8(13)6-11(10)14;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;3*10-7-2-3-9(8(11)6-7)13-5-1-4-12-13;;;;;;/h1-9,11-12H;1-8,10-12H;1-9,11-12H;3,5-8H,1-2H3;2,4-7H,1H3;1-4,6-7H;3*1-2,4-6H;;;;;;/q9*-1;;;;;;
InChIKeyIVHQOQKGFHIMJC-UHFFFAOYSA-N
XLogP24.41
TPSA158.06 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds14
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002992.16
LogP ≤ 524.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;tris(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;hexakis(iridium);1-(3-phenylbenzene-6-id-1-yl)pyrazole;1-(4-phenylbenzene-6-id-1-yl)pyrazole;4-phenyl-1-phenylpyrazole with MolForge

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Related Compounds

2-[3,4-Bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;iridium
CID 20807371
2-[3,4-Bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine;iridium
CID 20807382
2-(2,4-Difluorobenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+)
CID 140692225
N,N-bis(4-pentylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;[2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);isothiocyanate
CID 140701046
N,N-bis(4-tert-butylphenyl)-4-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]aniline;[2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);isothiocyanate
CID 140701066
3,6-Ditert-butyl-9-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]carbazole;[2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);isothiocyanate
CID 140701117
N,N-bis(4-pentylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;[2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);isothiocyanate
CID 140701148
N,N-bis(4-tert-butylphenyl)-4-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-3-pyridinyl]aniline;[2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);isothiocyanate
CID 140701169
N,N-bis(4-tert-butylphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;[2-[6-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+)
CID 140780415
[2-[6-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(3-ethylheptyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+)
CID 140780454
N,N-bis(4-tert-butylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;[2-[6-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);isothiocyanate
CID 140780468
[2-[6-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;isothiocyanate
CID 140780470

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;tris(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;hexakis(iridium);1-(3-phenylbenzene-6-id-1-yl)pyrazole;1-(4-phenylbenzene-6-id-1-yl)pyrazole;4-phenyl-1-phenylpyrazole?
The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;tris(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;hexakis(iridium);1-(3-phenylbenzene-6-id-1-yl)pyrazole;1-(4-phenylbenzene-6-id-1-yl)pyrazole;4-phenyl-1-phenylpyrazole (CID 158122483) is 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;tris(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;hexakis(iridium);1-(3-phenylbenzene-6-id-1-yl)pyrazole;1-(4-phenylbenzene-6-id-1-yl)pyrazole;4-phenyl-1-phenylpyrazole.
What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;tris(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;hexakis(iridium);1-(3-phenylbenzene-6-id-1-yl)pyrazole;1-(4-phenylbenzene-6-id-1-yl)pyrazole;4-phenyl-1-phenylpyrazole?
The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;tris(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;hexakis(iridium);1-(3-phenylbenzene-6-id-1-yl)pyrazole;1-(4-phenylbenzene-6-id-1-yl)pyrazole;4-phenyl-1-phenylpyrazole is CN(C)c1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-n2cccn2)c(F)c1.Fc1c[c-]c(-n2cccn2)c(F)c1.Fc1c[c-]c(-n2cccn2)c(F)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc(-c2ccccc2)ccc1-n1cccn1.[c-]1ccc(-c2ccccc2)cc1-n1cccn1.[c-]1ccccc1-n1cc(-c2ccccc2)cn1.
What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;tris(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;hexakis(iridium);1-(3-phenylbenzene-6-id-1-yl)pyrazole;1-(4-phenylbenzene-6-id-1-yl)pyrazole;4-phenyl-1-phenylpyrazole?
The InChIKey is IVHQOQKGFHIMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C15H11N2.C13H11F2N2.C12H8F2NO.C11H6F2N.3C9H5F2N2.6Ir/c1-3-7-13(8-4-1)14-11-16-17(12-14)15-9-5-2-6-10-15;1-2-6-13(7-3-1)14-8-4-9-15(12-14)17-11-5-10-16-17;1-2-5-13(6-3-1)14-7-9-15(10-8-14)17-12-4-11-16-17;1-17(2)10-5-6-16-13(8-10)11-4-3-9(14)7-12(11)15;1-16-9-4-5-15-12(7-9)10-3-2-8(13)6-11(10)14;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;3*10-7-2-3-9(8(11)6-7)13-5-1-4-12-13;;;;;;/h1-9,11-12H;1-8,10-12H;1-9,11-12H;3,5-8H,1-2H3;2,4-7H,1H3;1-4,6-7H;3*1-2,4-6H;;;;;;/q9*-1;;;;;;.
What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;tris(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;hexakis(iridium);1-(3-phenylbenzene-6-id-1-yl)pyrazole;1-(4-phenylbenzene-6-id-1-yl)pyrazole;4-phenyl-1-phenylpyrazole?
2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;tris(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;hexakis(iridium);1-(3-phenylbenzene-6-id-1-yl)pyrazole;1-(4-phenylbenzene-6-id-1-yl)pyrazole;4-phenyl-1-phenylpyrazole has a molecular weight of 2992.16 g/mol, XLogP of 24.41, 14 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;tris(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;hexakis(iridium);1-(3-phenylbenzene-6-id-1-yl)pyrazole;1-(4-phenylbenzene-6-id-1-yl)pyrazole;4-phenyl-1-phenylpyrazole is sourced from PubChem (CID 158122483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).