2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-prop-2-enylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(7-ethenylsulfanyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-3H-pyrazol-2-ide;tetrakis(iridium)

C80H63F6Ir4N7OS-6 — CID 158699872

IUPAC2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-prop-2-enylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(7-ethenylsulfanyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-3H-pyrazol-2-ide;tetrakis(iridium)
SMILESC=CCc1ccc(-c2[c-]cc(F)cc2F)nc1.C=CCc1ccc2c(c1)C(C)(C)c1cc(-n3cccn3)[c-]cc1-2.C=COc1ccnc(-c2[c-]cc(F)cc2F)c1.C=CSc1ccc2c(c1)C(C)(C)c1cc(N3C=CC(C)[N-]3)[c-]cc1-2.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C21H20N2S.C21H19N2.C14H10F2N.C13H8F2NO.C11H6F2N.4Ir/c1-5-24-16-7-9-18-17-8-6-15(23-11-10-14(2)22-23)12-19(17)21(3,4)20(18)13-16;1-4-6-15-7-9-17-18-10-8-16(23-12-5-11-22-23)14-20(18)21(2,3)19(17)13-15;1-2-3-10-4-7-14(17-9-10)12-6-5-11(15)8-13(12)16;1-2-17-10-5-6-16-13(8-10)11-4-3-9(14)7-12(11)15;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;;;;/h5,7-14H,1H2,2-4H3;4-5,7,9-14H,1,6H2,2-3H3;2,4-5,7-9H,1,3H2;2-3,5-8H,1H2;1-4,6-7H;;;;/q-2;4*-1;;;;
InChIKeyUZFNLEBPVYDKQY-UHFFFAOYSA-N
MW2053.35 g/mol
LogP20.47
Rot. Bonds13

About 2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-prop-2-enylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(7-ethenylsulfanyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-3H-pyrazol-2-ide;tetrakis(iridium)

2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-prop-2-enylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(7-ethenylsulfanyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-3H-pyrazol-2-ide;tetrakis(iridium) (PubChem CID 158699872) has the molecular formula C80H63F6Ir4N7OS-6 and a molecular weight of 2053.35 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-prop-2-enylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(7-ethenylsulfanyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-3H-pyrazol-2-ide;tetrakis(iridium).

Molecular Properties

Compound Name2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-prop-2-enylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(7-ethenylsulfanyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-3H-pyrazol-2-ide;tetrakis(iridium)
PubChem CID158699872
Molecular FormulaC80H63F6Ir4N7OS-6
Molecular Weight2053.35 g/mol
Exact Mass2055.33
IUPAC Name2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-prop-2-enylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(7-ethenylsulfanyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-3H-pyrazol-2-ide;tetrakis(iridium)
SMILESC=CCc1ccc(-c2[c-]cc(F)cc2F)nc1.C=CCc1ccc2c(c1)C(C)(C)c1cc(-n3cccn3)[c-]cc1-2.C=COc1ccnc(-c2[c-]cc(F)cc2F)c1.C=CSc1ccc2c(c1)C(C)(C)c1cc(N3C=CC(C)[N-]3)[c-]cc1-2.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C21H20N2S.C21H19N2.C14H10F2N.C13H8F2NO.C11H6F2N.4Ir/c1-5-24-16-7-9-18-17-8-6-15(23-11-10-14(2)22-23)12-19(17)21(3,4)20(18)13-16;1-4-6-15-7-9-17-18-10-8-16(23-12-5-11-22-23)14-20(18)21(2,3)19(17)13-15;1-2-3-10-4-7-14(17-9-10)12-6-5-11(15)8-13(12)16;1-2-17-10-5-6-16-13(8-10)11-4-3-9(14)7-12(11)15;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;;;;/h5,7-14H,1H2,2-4H3;4-5,7,9-14H,1,6H2,2-3H3;2,4-5,7-9H,1,3H2;2-3,5-8H,1H2;1-4,6-7H;;;;/q-2;4*-1;;;;
InChIKeyUZFNLEBPVYDKQY-UHFFFAOYSA-N
XLogP20.47
TPSA83.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002053.35
LogP ≤ 520.47
H-Bond Donors ≤ 50
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-prop-2-enylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(7-ethenylsulfanyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-3H-pyrazol-2-ide;tetrakis(iridium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-prop-2-enylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(7-ethenylsulfanyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-3H-pyrazol-2-ide;tetrakis(iridium)?
The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-prop-2-enylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(7-ethenylsulfanyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-3H-pyrazol-2-ide;tetrakis(iridium) (CID 158699872) is 2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-prop-2-enylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(7-ethenylsulfanyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-3H-pyrazol-2-ide;tetrakis(iridium).
What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-prop-2-enylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(7-ethenylsulfanyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-3H-pyrazol-2-ide;tetrakis(iridium)?
The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-prop-2-enylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(7-ethenylsulfanyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-3H-pyrazol-2-ide;tetrakis(iridium) is C=CCc1ccc(-c2[c-]cc(F)cc2F)nc1.C=CCc1ccc2c(c1)C(C)(C)c1cc(-n3cccn3)[c-]cc1-2.C=COc1ccnc(-c2[c-]cc(F)cc2F)c1.C=CSc1ccc2c(c1)C(C)(C)c1cc(N3C=CC(C)[N-]3)[c-]cc1-2.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-prop-2-enylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(7-ethenylsulfanyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-3H-pyrazol-2-ide;tetrakis(iridium)?
The InChIKey is UZFNLEBPVYDKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2S.C21H19N2.C14H10F2N.C13H8F2NO.C11H6F2N.4Ir/c1-5-24-16-7-9-18-17-8-6-15(23-11-10-14(2)22-23)12-19(17)21(3,4)20(18)13-16;1-4-6-15-7-9-17-18-10-8-16(23-12-5-11-22-23)14-20(18)21(2,3)19(17)13-15;1-2-3-10-4-7-14(17-9-10)12-6-5-11(15)8-13(12)16;1-2-17-10-5-6-16-13(8-10)11-4-3-9(14)7-12(11)15;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;;;;/h5,7-14H,1H2,2-4H3;4-5,7,9-14H,1,6H2,2-3H3;2,4-5,7-9H,1,3H2;2-3,5-8H,1H2;1-4,6-7H;;;;/q-2;4*-1;;;;.
What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-prop-2-enylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(7-ethenylsulfanyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-3H-pyrazol-2-ide;tetrakis(iridium)?
2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-prop-2-enylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(7-ethenylsulfanyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-3H-pyrazol-2-ide;tetrakis(iridium) has a molecular weight of 2053.35 g/mol, XLogP of 20.47, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-prop-2-enylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(7-ethenylsulfanyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-3H-pyrazol-2-ide;tetrakis(iridium) is sourced from PubChem (CID 158699872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).