2-[3-(3-butylphenyl)benzene-6-id-1-yl]pyridine;2-[2,4-difluoro-3-[3-methyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-5-methylpyridine;2-(2-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(2-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluoro-2-methylbenzene-6-id-1-yl)pyridine;octakis(iridium)

C111H83F11Ir8N8-8 — CID 158582657

IUPAC2-[3-(3-butylphenyl)benzene-6-id-1-yl]pyridine;2-[2,4-difluoro-3-[3-methyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-5-methylpyridine;2-(2-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(2-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluoro-2-methylbenzene-6-id-1-yl)pyridine;octakis(iridium)
SMILESCCCCc1cccc(-c2cc[c-]c(-c3ccccn3)c2)c1.Cc1cc(F)c[c-]c1-c1ccccn1.Cc1ccc(-c2[c-]cc(F)c(-c3cc(C)cc(C(F)(F)F)c3)c2F)nc1.Cc1ccc(-c2[c-]cc(F)cc2)nc1.Cc1ccnc(-c2[c-]cc(F)cc2)c1.Cc1ccnc(-c2[c-]cccc2F)c1.Fc1c[c-]c(-c2ccccn2)cc1.Fc1ccc[c-]c1-c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C21H20N.C20H13F5N.4C12H9FN.2C11H7FN.8Ir/c1-2-3-8-17-9-6-10-18(15-17)19-11-7-12-20(16-19)21-13-4-5-14-22-21;1-11-3-6-17(26-10-11)15-4-5-16(21)18(19(15)22)13-7-12(2)8-14(9-13)20(23,24)25;1-9-2-7-12(14-8-9)10-3-5-11(13)6-4-10;1-9-6-7-14-12(8-9)10-2-4-11(13)5-3-10;1-9-8-10(13)5-6-11(9)12-4-2-3-7-14-12;1-9-6-7-14-12(8-9)10-4-2-3-5-11(10)13;12-10-6-2-1-5-9(10)11-7-3-4-8-13-11;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;;;;;;;;/h4-7,9-11,13-16H,2-3,8H2,1H3;3,5-10H,1-2H3;2-3,5-8H,1H3;2,4-8H,1H3;2-5,7-8H,1H3;2-3,5-8H,1H3;2*1-4,6-8H;;;;;;;;/q8*-1;;;;;;;;
InChIKeyOEWQCJMFPUKKOK-UHFFFAOYSA-N
MW3275.65 g/mol
LogP29.03
Rot. Bonds13

About 2-[3-(3-butylphenyl)benzene-6-id-1-yl]pyridine;2-[2,4-difluoro-3-[3-methyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-5-methylpyridine;2-(2-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(2-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluoro-2-methylbenzene-6-id-1-yl)pyridine;octakis(iridium)

2-[3-(3-butylphenyl)benzene-6-id-1-yl]pyridine;2-[2,4-difluoro-3-[3-methyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-5-methylpyridine;2-(2-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(2-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluoro-2-methylbenzene-6-id-1-yl)pyridine;octakis(iridium) (PubChem CID 158582657) has the molecular formula C111H83F11Ir8N8-8 and a molecular weight of 3275.65 g/mol. Its IUPAC name is 2-[3-(3-butylphenyl)benzene-6-id-1-yl]pyridine;2-[2,4-difluoro-3-[3-methyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-5-methylpyridine;2-(2-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(2-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluoro-2-methylbenzene-6-id-1-yl)pyridine;octakis(iridium).

Molecular Properties

Compound Name2-[3-(3-butylphenyl)benzene-6-id-1-yl]pyridine;2-[2,4-difluoro-3-[3-methyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-5-methylpyridine;2-(2-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(2-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluoro-2-methylbenzene-6-id-1-yl)pyridine;octakis(iridium)
PubChem CID158582657
Molecular FormulaC111H83F11Ir8N8-8
Molecular Weight3275.65 g/mol
Exact Mass3280.36
IUPAC Name2-[3-(3-butylphenyl)benzene-6-id-1-yl]pyridine;2-[2,4-difluoro-3-[3-methyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-5-methylpyridine;2-(2-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(2-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluoro-2-methylbenzene-6-id-1-yl)pyridine;octakis(iridium)
SMILESCCCCc1cccc(-c2cc[c-]c(-c3ccccn3)c2)c1.Cc1cc(F)c[c-]c1-c1ccccn1.Cc1ccc(-c2[c-]cc(F)c(-c3cc(C)cc(C(F)(F)F)c3)c2F)nc1.Cc1ccc(-c2[c-]cc(F)cc2)nc1.Cc1ccnc(-c2[c-]cc(F)cc2)c1.Cc1ccnc(-c2[c-]cccc2F)c1.Fc1c[c-]c(-c2ccccn2)cc1.Fc1ccc[c-]c1-c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C21H20N.C20H13F5N.4C12H9FN.2C11H7FN.8Ir/c1-2-3-8-17-9-6-10-18(15-17)19-11-7-12-20(16-19)21-13-4-5-14-22-21;1-11-3-6-17(26-10-11)15-4-5-16(21)18(19(15)22)13-7-12(2)8-14(9-13)20(23,24)25;1-9-2-7-12(14-8-9)10-3-5-11(13)6-4-10;1-9-6-7-14-12(8-9)10-2-4-11(13)5-3-10;1-9-8-10(13)5-6-11(9)12-4-2-3-7-14-12;1-9-6-7-14-12(8-9)10-4-2-3-5-11(10)13;12-10-6-2-1-5-9(10)11-7-3-4-8-13-11;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;;;;;;;;/h4-7,9-11,13-16H,2-3,8H2,1H3;3,5-10H,1-2H3;2-3,5-8H,1H3;2,4-8H,1H3;2-5,7-8H,1H3;2-3,5-8H,1H3;2*1-4,6-8H;;;;;;;;/q8*-1;;;;;;;;
InChIKeyOEWQCJMFPUKKOK-UHFFFAOYSA-N
XLogP29.03
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms138
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003275.65
LogP ≤ 529.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[3-(3-butylphenyl)benzene-6-id-1-yl]pyridine;2-[2,4-difluoro-3-[3-methyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-5-methylpyridine;2-(2-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(2-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluoro-2-methylbenzene-6-id-1-yl)pyridine;octakis(iridium) with MolForge

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Related Compounds

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N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]-5-(2,2-difluoro-5,11-diiodo-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,10-tetraen-8-yl)phenyl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-butylphenyl)benzene-6-id-1-yl]pyridine;2-[2,4-difluoro-3-[3-methyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-5-methylpyridine;2-(2-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(2-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluoro-2-methylbenzene-6-id-1-yl)pyridine;octakis(iridium)?
The IUPAC name of 2-[3-(3-butylphenyl)benzene-6-id-1-yl]pyridine;2-[2,4-difluoro-3-[3-methyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-5-methylpyridine;2-(2-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(2-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluoro-2-methylbenzene-6-id-1-yl)pyridine;octakis(iridium) (CID 158582657) is 2-[3-(3-butylphenyl)benzene-6-id-1-yl]pyridine;2-[2,4-difluoro-3-[3-methyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-5-methylpyridine;2-(2-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(2-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluoro-2-methylbenzene-6-id-1-yl)pyridine;octakis(iridium).
What is the SMILES notation for 2-[3-(3-butylphenyl)benzene-6-id-1-yl]pyridine;2-[2,4-difluoro-3-[3-methyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-5-methylpyridine;2-(2-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(2-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluoro-2-methylbenzene-6-id-1-yl)pyridine;octakis(iridium)?
The canonical SMILES for 2-[3-(3-butylphenyl)benzene-6-id-1-yl]pyridine;2-[2,4-difluoro-3-[3-methyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-5-methylpyridine;2-(2-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(2-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluoro-2-methylbenzene-6-id-1-yl)pyridine;octakis(iridium) is CCCCc1cccc(-c2cc[c-]c(-c3ccccn3)c2)c1.Cc1cc(F)c[c-]c1-c1ccccn1.Cc1ccc(-c2[c-]cc(F)c(-c3cc(C)cc(C(F)(F)F)c3)c2F)nc1.Cc1ccc(-c2[c-]cc(F)cc2)nc1.Cc1ccnc(-c2[c-]cc(F)cc2)c1.Cc1ccnc(-c2[c-]cccc2F)c1.Fc1c[c-]c(-c2ccccn2)cc1.Fc1ccc[c-]c1-c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 2-[3-(3-butylphenyl)benzene-6-id-1-yl]pyridine;2-[2,4-difluoro-3-[3-methyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-5-methylpyridine;2-(2-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(2-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluoro-2-methylbenzene-6-id-1-yl)pyridine;octakis(iridium)?
The InChIKey is OEWQCJMFPUKKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N.C20H13F5N.4C12H9FN.2C11H7FN.8Ir/c1-2-3-8-17-9-6-10-18(15-17)19-11-7-12-20(16-19)21-13-4-5-14-22-21;1-11-3-6-17(26-10-11)15-4-5-16(21)18(19(15)22)13-7-12(2)8-14(9-13)20(23,24)25;1-9-2-7-12(14-8-9)10-3-5-11(13)6-4-10;1-9-6-7-14-12(8-9)10-2-4-11(13)5-3-10;1-9-8-10(13)5-6-11(9)12-4-2-3-7-14-12;1-9-6-7-14-12(8-9)10-4-2-3-5-11(10)13;12-10-6-2-1-5-9(10)11-7-3-4-8-13-11;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;;;;;;;;/h4-7,9-11,13-16H,2-3,8H2,1H3;3,5-10H,1-2H3;2-3,5-8H,1H3;2,4-8H,1H3;2-5,7-8H,1H3;2-3,5-8H,1H3;2*1-4,6-8H;;;;;;;;/q8*-1;;;;;;;;.
What are the key properties of 2-[3-(3-butylphenyl)benzene-6-id-1-yl]pyridine;2-[2,4-difluoro-3-[3-methyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-5-methylpyridine;2-(2-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(2-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluoro-2-methylbenzene-6-id-1-yl)pyridine;octakis(iridium)?
2-[3-(3-butylphenyl)benzene-6-id-1-yl]pyridine;2-[2,4-difluoro-3-[3-methyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-5-methylpyridine;2-(2-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(2-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluoro-2-methylbenzene-6-id-1-yl)pyridine;octakis(iridium) has a molecular weight of 3275.65 g/mol, XLogP of 29.03, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-butylphenyl)benzene-6-id-1-yl]pyridine;2-[2,4-difluoro-3-[3-methyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-5-methylpyridine;2-(2-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(2-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluoro-2-methylbenzene-6-id-1-yl)pyridine;octakis(iridium) is sourced from PubChem (CID 158582657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).