2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;nonakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;2-(4-octylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine

C121H108F6Ir9N9O2-9 — CID 161175073

IUPAC2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;nonakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;2-(4-octylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine
SMILESCC(=O)C=C(C)O.CCCCCCCCc1c[c-]c(-c2ccccn2)cc1.CCCCCCc1ccc(-c2[c-]cccc2)nc1.Cc1c[c-]c(-c2ccccn2)cc1.Cc1ccc(-c2[c-]cccc2)nc1.FC(F)(F)c1ccc(-c2[c-]cccc2)nc1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C19H24N.C17H20N.C12H7F3N.2C12H10N.C11H6F2N.C11H7FN.2C11H8N.C5H8O2.9Ir/c1-2-3-4-5-6-7-10-17-12-14-18(15-13-17)19-11-8-9-16-20-19;1-2-3-4-6-9-15-12-13-17(18-14-15)16-10-7-5-8-11-16;13-12(14,15)10-6-7-11(16-8-10)9-4-2-1-3-5-9;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4(6)3-5(2)7;;;;;;;;;/h8-9,11-14,16H,2-7,10H2,1H3;5,7-8,10,12-14H,2-4,6,9H2,1H3;1-4,6-8H;2-7,9H,1H3;2-5,7-9H,1H3;1-4,6-7H;1-4,6-8H;2*1-6,8-9H;3,6H,1-2H3;;;;;;;;;/q9*-1;;;;;;;;;;
InChIKeyRTXYNUHMCVOQFD-UHFFFAOYSA-N
MW3564.20 g/mol
LogP31.03
Rot. Bonds22

About 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;nonakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;2-(4-octylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine

2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;nonakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;2-(4-octylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine (PubChem CID 161175073) has the molecular formula C121H108F6Ir9N9O2-9 and a molecular weight of 3564.20 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;nonakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;2-(4-octylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;nonakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;2-(4-octylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine
PubChem CID161175073
Molecular FormulaC121H108F6Ir9N9O2-9
Molecular Weight3564.20 g/mol
Exact Mass3569.52
IUPAC Name2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;nonakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;2-(4-octylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine
SMILESCC(=O)C=C(C)O.CCCCCCCCc1c[c-]c(-c2ccccn2)cc1.CCCCCCc1ccc(-c2[c-]cccc2)nc1.Cc1c[c-]c(-c2ccccn2)cc1.Cc1ccc(-c2[c-]cccc2)nc1.FC(F)(F)c1ccc(-c2[c-]cccc2)nc1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C19H24N.C17H20N.C12H7F3N.2C12H10N.C11H6F2N.C11H7FN.2C11H8N.C5H8O2.9Ir/c1-2-3-4-5-6-7-10-17-12-14-18(15-13-17)19-11-8-9-16-20-19;1-2-3-4-6-9-15-12-13-17(18-14-15)16-10-7-5-8-11-16;13-12(14,15)10-6-7-11(16-8-10)9-4-2-1-3-5-9;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4(6)3-5(2)7;;;;;;;;;/h8-9,11-14,16H,2-7,10H2,1H3;5,7-8,10,12-14H,2-4,6,9H2,1H3;1-4,6-8H;2-7,9H,1H3;2-5,7-9H,1H3;1-4,6-7H;1-4,6-8H;2*1-6,8-9H;3,6H,1-2H3;;;;;;;;;/q9*-1;;;;;;;;;;
InChIKeyRTXYNUHMCVOQFD-UHFFFAOYSA-N
XLogP31.03
TPSA153.31 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds22
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003564.20
LogP ≤ 531.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;nonakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;2-(4-octylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine with MolForge

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tetrakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);tetrakis(palladium(2+))
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cobalt(3+);(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate;bis(4-[(Z)-pyrrol-1-id-2-yl(pyrrol-2-ylidene)methyl]pyridine)
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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;nonakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;2-(4-octylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;nonakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;2-(4-octylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine (CID 161175073) is 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;nonakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;2-(4-octylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;nonakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;2-(4-octylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;nonakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;2-(4-octylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine is CC(=O)C=C(C)O.CCCCCCCCc1c[c-]c(-c2ccccn2)cc1.CCCCCCc1ccc(-c2[c-]cccc2)nc1.Cc1c[c-]c(-c2ccccn2)cc1.Cc1ccc(-c2[c-]cccc2)nc1.FC(F)(F)c1ccc(-c2[c-]cccc2)nc1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;nonakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;2-(4-octylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine?
The InChIKey is RTXYNUHMCVOQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N.C17H20N.C12H7F3N.2C12H10N.C11H6F2N.C11H7FN.2C11H8N.C5H8O2.9Ir/c1-2-3-4-5-6-7-10-17-12-14-18(15-13-17)19-11-8-9-16-20-19;1-2-3-4-6-9-15-12-13-17(18-14-15)16-10-7-5-8-11-16;13-12(14,15)10-6-7-11(16-8-10)9-4-2-1-3-5-9;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4(6)3-5(2)7;;;;;;;;;/h8-9,11-14,16H,2-7,10H2,1H3;5,7-8,10,12-14H,2-4,6,9H2,1H3;1-4,6-8H;2-7,9H,1H3;2-5,7-9H,1H3;1-4,6-7H;1-4,6-8H;2*1-6,8-9H;3,6H,1-2H3;;;;;;;;;/q9*-1;;;;;;;;;;.
What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;nonakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;2-(4-octylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine?
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;nonakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;2-(4-octylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine has a molecular weight of 3564.20 g/mol, XLogP of 31.03, 22 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;nonakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;2-(4-octylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 161175073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).