2-(3,4-difluorobenzene-6-id-1-yl)-5-ethyl-3-propylpyridine;5-ethyl-4-propyl-2-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)-5-pentyl-4-phenylpyridine;4-heptyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium)

C74H74F10Ir4N4-4 — CID 159773189

IUPAC2-(3,4-difluorobenzene-6-id-1-yl)-5-ethyl-3-propylpyridine;5-ethyl-4-propyl-2-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)-5-pentyl-4-phenylpyridine;4-heptyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium)
SMILESCCCCCCCc1ccnc(-c2[c-]c(F)c(F)c(F)c2F)c1.CCCCCc1cnc(-c2[c-]cc(C)cc2F)cc1-c1ccccc1.CCCc1cc(-c2[c-]ccc(C(F)(F)F)c2)ncc1CC.CCCc1cc(CC)cnc1-c1[c-]cc(F)c(F)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C23H23FN.C18H18F4N.C17H17F3N.C16H16F2N.4Ir/c1-3-4-6-11-19-16-25-23(20-13-12-17(2)14-22(20)24)15-21(19)18-9-7-5-8-10-18;1-2-3-4-5-6-7-12-8-9-23-15(10-12)13-11-14(19)17(21)18(22)16(13)20;1-3-6-13-10-16(21-11-12(13)4-2)14-7-5-8-15(9-14)17(18,19)20;1-3-5-12-8-11(4-2)10-19-16(12)13-6-7-14(17)15(18)9-13;;;;/h5,7-10,12,14-16H,3-4,6,11H2,1-2H3;8-10H,2-7H2,1H3;5,8-11H,3-4,6H2,1-2H3;7-10H,3-5H2,1-2H3;;;;/q4*-1;;;;
InChIKeyKUWBYTAUZTZULI-UHFFFAOYSA-N
MW1978.28 g/mol
LogP21.43
Rot. Bonds21

About 2-(3,4-difluorobenzene-6-id-1-yl)-5-ethyl-3-propylpyridine;5-ethyl-4-propyl-2-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)-5-pentyl-4-phenylpyridine;4-heptyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium)

2-(3,4-difluorobenzene-6-id-1-yl)-5-ethyl-3-propylpyridine;5-ethyl-4-propyl-2-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)-5-pentyl-4-phenylpyridine;4-heptyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium) (PubChem CID 159773189) has the molecular formula C74H74F10Ir4N4-4 and a molecular weight of 1978.28 g/mol. Its IUPAC name is 2-(3,4-difluorobenzene-6-id-1-yl)-5-ethyl-3-propylpyridine;5-ethyl-4-propyl-2-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)-5-pentyl-4-phenylpyridine;4-heptyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium).

Molecular Properties

Compound Name2-(3,4-difluorobenzene-6-id-1-yl)-5-ethyl-3-propylpyridine;5-ethyl-4-propyl-2-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)-5-pentyl-4-phenylpyridine;4-heptyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium)
PubChem CID159773189
Molecular FormulaC74H74F10Ir4N4-4
Molecular Weight1978.28 g/mol
Exact Mass1980.43
IUPAC Name2-(3,4-difluorobenzene-6-id-1-yl)-5-ethyl-3-propylpyridine;5-ethyl-4-propyl-2-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)-5-pentyl-4-phenylpyridine;4-heptyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium)
SMILESCCCCCCCc1ccnc(-c2[c-]c(F)c(F)c(F)c2F)c1.CCCCCc1cnc(-c2[c-]cc(C)cc2F)cc1-c1ccccc1.CCCc1cc(-c2[c-]ccc(C(F)(F)F)c2)ncc1CC.CCCc1cc(CC)cnc1-c1[c-]cc(F)c(F)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C23H23FN.C18H18F4N.C17H17F3N.C16H16F2N.4Ir/c1-3-4-6-11-19-16-25-23(20-13-12-17(2)14-22(20)24)15-21(19)18-9-7-5-8-10-18;1-2-3-4-5-6-7-12-8-9-23-15(10-12)13-11-14(19)17(21)18(22)16(13)20;1-3-6-13-10-16(21-11-12(13)4-2)14-7-5-8-15(9-14)17(18,19)20;1-3-5-12-8-11(4-2)10-19-16(12)13-6-7-14(17)15(18)9-13;;;;/h5,7-10,12,14-16H,3-4,6,11H2,1-2H3;8-10H,2-7H2,1H3;5,8-11H,3-4,6H2,1-2H3;7-10H,3-5H2,1-2H3;;;;/q4*-1;;;;
InChIKeyKUWBYTAUZTZULI-UHFFFAOYSA-N
XLogP21.43
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001978.28
LogP ≤ 521.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-(3,4-difluorobenzene-6-id-1-yl)-5-ethyl-3-propylpyridine;5-ethyl-4-propyl-2-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)-5-pentyl-4-phenylpyridine;4-heptyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium) with MolForge

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Related Compounds

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Zinc tetra(4-N-methylpyridyl)porphine
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(4,4'-Di-tert-butyl-2,2'-bipyridine)bis[3,5-difluoro-2-[5-trifluoromethyl-2-pyridinyl-kappaN)phenyl-kappaC]iridium(III) Hexafluorophosphate
CID 53260182
(4,4'-Di-tert-butyl-2,2'-bipyridine)bis((2-pyridinyl)phenyl)iridium(III) Hexafluorophosphate
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Manganese meso-tetra-(4-methyl-4-pyridinium)porphyrin
CID 49765035
1-Pyridin-3-yl-9-[4-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)butyl]pyrido[3,4-b]indole
CID 71539896
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9-[(4-Fluorophenyl)methyl]-3-[[4-[[9-[(4-fluorophenyl)methyl]pyrido[3,4-b]indol-3-yl]methyl]piperazin-1-yl]methyl]pyrido[3,4-b]indole
CID 127029328
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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorobenzene-6-id-1-yl)-5-ethyl-3-propylpyridine;5-ethyl-4-propyl-2-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)-5-pentyl-4-phenylpyridine;4-heptyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium)?
The IUPAC name of 2-(3,4-difluorobenzene-6-id-1-yl)-5-ethyl-3-propylpyridine;5-ethyl-4-propyl-2-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)-5-pentyl-4-phenylpyridine;4-heptyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium) (CID 159773189) is 2-(3,4-difluorobenzene-6-id-1-yl)-5-ethyl-3-propylpyridine;5-ethyl-4-propyl-2-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)-5-pentyl-4-phenylpyridine;4-heptyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium).
What is the SMILES notation for 2-(3,4-difluorobenzene-6-id-1-yl)-5-ethyl-3-propylpyridine;5-ethyl-4-propyl-2-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)-5-pentyl-4-phenylpyridine;4-heptyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium)?
The canonical SMILES for 2-(3,4-difluorobenzene-6-id-1-yl)-5-ethyl-3-propylpyridine;5-ethyl-4-propyl-2-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)-5-pentyl-4-phenylpyridine;4-heptyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium) is CCCCCCCc1ccnc(-c2[c-]c(F)c(F)c(F)c2F)c1.CCCCCc1cnc(-c2[c-]cc(C)cc2F)cc1-c1ccccc1.CCCc1cc(-c2[c-]ccc(C(F)(F)F)c2)ncc1CC.CCCc1cc(CC)cnc1-c1[c-]cc(F)c(F)c1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 2-(3,4-difluorobenzene-6-id-1-yl)-5-ethyl-3-propylpyridine;5-ethyl-4-propyl-2-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)-5-pentyl-4-phenylpyridine;4-heptyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium)?
The InChIKey is KUWBYTAUZTZULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN.C18H18F4N.C17H17F3N.C16H16F2N.4Ir/c1-3-4-6-11-19-16-25-23(20-13-12-17(2)14-22(20)24)15-21(19)18-9-7-5-8-10-18;1-2-3-4-5-6-7-12-8-9-23-15(10-12)13-11-14(19)17(21)18(22)16(13)20;1-3-6-13-10-16(21-11-12(13)4-2)14-7-5-8-15(9-14)17(18,19)20;1-3-5-12-8-11(4-2)10-19-16(12)13-6-7-14(17)15(18)9-13;;;;/h5,7-10,12,14-16H,3-4,6,11H2,1-2H3;8-10H,2-7H2,1H3;5,8-11H,3-4,6H2,1-2H3;7-10H,3-5H2,1-2H3;;;;/q4*-1;;;;.
What are the key properties of 2-(3,4-difluorobenzene-6-id-1-yl)-5-ethyl-3-propylpyridine;5-ethyl-4-propyl-2-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)-5-pentyl-4-phenylpyridine;4-heptyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium)?
2-(3,4-difluorobenzene-6-id-1-yl)-5-ethyl-3-propylpyridine;5-ethyl-4-propyl-2-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)-5-pentyl-4-phenylpyridine;4-heptyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium) has a molecular weight of 1978.28 g/mol, XLogP of 21.43, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorobenzene-6-id-1-yl)-5-ethyl-3-propylpyridine;5-ethyl-4-propyl-2-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)-5-pentyl-4-phenylpyridine;4-heptyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium) is sourced from PubChem (CID 159773189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).