[3-(2,4-difluorobenzene-6-id-1-yl)benzene-4-id-1-yl]methanol;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;4-hydroxypent-3-en-2-one;tetrakis(iridium)

C66H51F7Ir4N5O3-5 — CID 157185445

IUPAC[3-(2,4-difluorobenzene-6-id-1-yl)benzene-4-id-1-yl]methanol;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;4-hydroxypent-3-en-2-one;tetrakis(iridium)
SMILESCC(=O)C=C(C)O.CN(C)c1ccnc(-c2[c-]cc(F)cc2)c1.Cc1ccnc(-c2[c-]cc(F)cc2F)c1.Fc1c[c-]c(-c2cc(N(c3ccccc3)c3ccccc3)ccn2)c(F)c1.OCc1cc[c-]c(-c2[c-]cc(F)cc2F)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C23H15F2N2.C13H8F2O.C13H12FN2.C12H8F2N.C5H8O2.4Ir/c24-17-11-12-21(22(25)15-17)23-16-20(13-14-26-23)27(18-7-3-1-4-8-18)19-9-5-2-6-10-19;14-11-4-5-12(13(15)7-11)10-3-1-2-9(6-10)8-16;1-16(2)12-7-8-15-13(9-12)10-3-5-11(14)6-4-10;1-8-4-5-15-12(6-8)10-3-2-9(13)7-11(10)14;1-4(6)3-5(2)7;;;;/h1-11,13-16H;1-2,4,6-7,16H,8H2;3,5-9H,1-2H3;2,4-7H,1H3;3,6H,1-2H3;;;;/q-1;-2;2*-1;;;;;
InChIKeyMMWIEMRRYWMVNA-UHFFFAOYSA-N
MW1864.02 g/mol
LogP15.94
Rot. Bonds10

About [3-(2,4-difluorobenzene-6-id-1-yl)benzene-4-id-1-yl]methanol;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;4-hydroxypent-3-en-2-one;tetrakis(iridium)

[3-(2,4-difluorobenzene-6-id-1-yl)benzene-4-id-1-yl]methanol;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;4-hydroxypent-3-en-2-one;tetrakis(iridium) (PubChem CID 157185445) has the molecular formula C66H51F7Ir4N5O3-5 and a molecular weight of 1864.02 g/mol. Its IUPAC name is [3-(2,4-difluorobenzene-6-id-1-yl)benzene-4-id-1-yl]methanol;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;4-hydroxypent-3-en-2-one;tetrakis(iridium).

Molecular Properties

Compound Name[3-(2,4-difluorobenzene-6-id-1-yl)benzene-4-id-1-yl]methanol;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;4-hydroxypent-3-en-2-one;tetrakis(iridium)
PubChem CID157185445
Molecular FormulaC66H51F7Ir4N5O3-5
Molecular Weight1864.02 g/mol
Exact Mass1866.24
IUPAC Name[3-(2,4-difluorobenzene-6-id-1-yl)benzene-4-id-1-yl]methanol;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;4-hydroxypent-3-en-2-one;tetrakis(iridium)
SMILESCC(=O)C=C(C)O.CN(C)c1ccnc(-c2[c-]cc(F)cc2)c1.Cc1ccnc(-c2[c-]cc(F)cc2F)c1.Fc1c[c-]c(-c2cc(N(c3ccccc3)c3ccccc3)ccn2)c(F)c1.OCc1cc[c-]c(-c2[c-]cc(F)cc2F)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C23H15F2N2.C13H8F2O.C13H12FN2.C12H8F2N.C5H8O2.4Ir/c24-17-11-12-21(22(25)15-17)23-16-20(13-14-26-23)27(18-7-3-1-4-8-18)19-9-5-2-6-10-19;14-11-4-5-12(13(15)7-11)10-3-1-2-9(6-10)8-16;1-16(2)12-7-8-15-13(9-12)10-3-5-11(14)6-4-10;1-8-4-5-15-12(6-8)10-3-2-9(13)7-11(10)14;1-4(6)3-5(2)7;;;;/h1-11,13-16H;1-2,4,6-7,16H,8H2;3,5-9H,1-2H3;2,4-7H,1H3;3,6H,1-2H3;;;;/q-1;-2;2*-1;;;;;
InChIKeyMMWIEMRRYWMVNA-UHFFFAOYSA-N
XLogP15.94
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001864.02
LogP ≤ 515.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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'}

Analyze [3-(2,4-difluorobenzene-6-id-1-yl)benzene-4-id-1-yl]methanol;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;4-hydroxypent-3-en-2-one;tetrakis(iridium) with MolForge

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Related Compounds

2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;7,7-difluoro-1,11-dihydrobenzo[a]phenalene-1,11-diide;bis(2-(4-fluorobenzene-6-id-1-yl)pyridine);[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;4-hydroxypent-3-en-2-one;pentakis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(2+)
CID 158881458
2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;4-hydroxypent-3-en-2-one;pentakis(iridium);bis(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 159231358
10H-benzo[h]quinolin-10-ide;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-(4-ethylbenzene-6-id-1-yl)isoquinoline;tetrakis(4-hydroxypent-3-en-2-ylideneoxidanium);hexakis(iridium);1-(4-methoxybenzene-6-id-1-yl)isoquinoline;1-(4-methylbenzene-6-id-1-yl)isoquinoline
CID 159522622
9-(2-ethylhexyl)-2-(4-pyridin-2-ylbenzene-5-id-1-yl)carbazole;4-hydroxypent-3-en-2-one;bis(iridium);pent-2-ene-2,4-diol;bis(9-phenyl-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-carbazol-4-ide)
CID 162290158
9-(2-ethylhexyl)-2-(4-pyridin-2-ylbenzene-5-id-1-yl)carbazole;4-hydroxypent-3-en-2-one;bis(iridium);pent-2-ene-2,4-diol;9-phenyl-4H-carbazol-4-ide;9-phenyl-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-carbazol-4-ide;3-(trifluoromethyl)pyridine
CID 162290159
bis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium
CID 58131660
(Z)-4-hydroxypent-3-en-2-one;iridium;bis(9-[2-(3-phenylbenzene-6-id-1-yl)-4-pyridinyl]carbazole)
CID 59546719
bis(9-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]carbazole);(Z)-4-hydroxypent-3-en-2-one;iridium
CID 59546725
bis(9-[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]carbazole);(Z)-4-hydroxypent-3-en-2-one;iridium
CID 59546727
(Z)-4-hydroxypent-3-en-2-one;iridium;bis(9-[2-(4-methoxybenzene-6-id-1-yl)-4-pyridinyl]carbazole)
CID 59546732
bis(N,N-dimethyl-2-phenylpyridin-4-amine);iridium(3+);4-pyridin-2-ylbenzene-5-id-1-ol
CID 136021570
Iridium;pent-2-ene-2,4-diol;bis(2-phenyl-4-(2-phenylethynyl)pyridine)
CID 146899919

Frequently Asked Questions

What is the IUPAC name of [3-(2,4-difluorobenzene-6-id-1-yl)benzene-4-id-1-yl]methanol;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;4-hydroxypent-3-en-2-one;tetrakis(iridium)?
The IUPAC name of [3-(2,4-difluorobenzene-6-id-1-yl)benzene-4-id-1-yl]methanol;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;4-hydroxypent-3-en-2-one;tetrakis(iridium) (CID 157185445) is [3-(2,4-difluorobenzene-6-id-1-yl)benzene-4-id-1-yl]methanol;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;4-hydroxypent-3-en-2-one;tetrakis(iridium).
What is the SMILES notation for [3-(2,4-difluorobenzene-6-id-1-yl)benzene-4-id-1-yl]methanol;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;4-hydroxypent-3-en-2-one;tetrakis(iridium)?
The canonical SMILES for [3-(2,4-difluorobenzene-6-id-1-yl)benzene-4-id-1-yl]methanol;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;4-hydroxypent-3-en-2-one;tetrakis(iridium) is CC(=O)C=C(C)O.CN(C)c1ccnc(-c2[c-]cc(F)cc2)c1.Cc1ccnc(-c2[c-]cc(F)cc2F)c1.Fc1c[c-]c(-c2cc(N(c3ccccc3)c3ccccc3)ccn2)c(F)c1.OCc1cc[c-]c(-c2[c-]cc(F)cc2F)c1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of [3-(2,4-difluorobenzene-6-id-1-yl)benzene-4-id-1-yl]methanol;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;4-hydroxypent-3-en-2-one;tetrakis(iridium)?
The InChIKey is MMWIEMRRYWMVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2N2.C13H8F2O.C13H12FN2.C12H8F2N.C5H8O2.4Ir/c24-17-11-12-21(22(25)15-17)23-16-20(13-14-26-23)27(18-7-3-1-4-8-18)19-9-5-2-6-10-19;14-11-4-5-12(13(15)7-11)10-3-1-2-9(6-10)8-16;1-16(2)12-7-8-15-13(9-12)10-3-5-11(14)6-4-10;1-8-4-5-15-12(6-8)10-3-2-9(13)7-11(10)14;1-4(6)3-5(2)7;;;;/h1-11,13-16H;1-2,4,6-7,16H,8H2;3,5-9H,1-2H3;2,4-7H,1H3;3,6H,1-2H3;;;;/q-1;-2;2*-1;;;;;.
What are the key properties of [3-(2,4-difluorobenzene-6-id-1-yl)benzene-4-id-1-yl]methanol;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;4-hydroxypent-3-en-2-one;tetrakis(iridium)?
[3-(2,4-difluorobenzene-6-id-1-yl)benzene-4-id-1-yl]methanol;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;4-hydroxypent-3-en-2-one;tetrakis(iridium) has a molecular weight of 1864.02 g/mol, XLogP of 15.94, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,4-difluorobenzene-6-id-1-yl)benzene-4-id-1-yl]methanol;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;4-hydroxypent-3-en-2-one;tetrakis(iridium) is sourced from PubChem (CID 157185445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).