5-butyl-2-[3-(3-methylphenyl)benzene-6-id-1-yl]pyridine;2-[3-(3-butylphenyl)-4-fluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-(4-butylphenyl)-4-fluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-(3-butylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-5-methylpyridine;pentakis(iridium);2-[3-(4-methylphenyl)benzene-6-id-1-yl]-5-pentylpyridine

C112H109F5Ir5N5-5 — CID 158399993

IUPAC5-butyl-2-[3-(3-methylphenyl)benzene-6-id-1-yl]pyridine;2-[3-(3-butylphenyl)-4-fluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-(4-butylphenyl)-4-fluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-(3-butylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-5-methylpyridine;pentakis(iridium);2-[3-(4-methylphenyl)benzene-6-id-1-yl]-5-pentylpyridine
SMILESCCCCCc1ccc(-c2[c-]ccc(-c3ccc(C)cc3)c2)nc1.CCCCc1ccc(-c2[c-]ccc(-c3cccc(C)c3)c2)nc1.CCCCc1ccc(-c2cc(-c3ccc(C)cn3)[c-]cc2F)cc1.CCCCc1cccc(-c2cc(-c3ccc(C)cn3)[c-]cc2C(F)(F)F)c1.CCCCc1cccc(-c2cc(-c3ccc(C)cn3)[c-]cc2F)c1.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C23H21F3N.C23H24N.2C22H21FN.C22H22N.5Ir/c1-3-4-6-17-7-5-8-18(13-17)20-14-19(10-11-21(20)23(24,25)26)22-12-9-16(2)15-27-22;1-3-4-5-7-19-12-15-23(24-17-19)22-9-6-8-21(16-22)20-13-10-18(2)11-14-20;1-3-4-6-17-7-5-8-18(13-17)20-14-19(10-11-21(20)23)22-12-9-16(2)15-24-22;1-3-4-5-17-7-9-18(10-8-17)20-14-19(11-12-21(20)23)22-13-6-16(2)15-24-22;1-3-4-8-18-12-13-22(23-16-18)21-11-6-10-20(15-21)19-9-5-7-17(2)14-19;;;;;/h5,7-9,11-15H,3-4,6H2,1-2H3;6,8,10-17H,3-5,7H2,1-2H3;5,7-9,11-15H,3-4,6H2,1-2H3;6-10,12-15H,3-5H2,1-2H3;5-7,9-10,12-16H,3-4,8H2,1-2H3;;;;;/q5*-1;;;;;
InChIKeyICYSEKWQIUTRNT-UHFFFAOYSA-N
MW2581.21 g/mol
LogP31.01
Rot. Bonds26

About 5-butyl-2-[3-(3-methylphenyl)benzene-6-id-1-yl]pyridine;2-[3-(3-butylphenyl)-4-fluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-(4-butylphenyl)-4-fluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-(3-butylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-5-methylpyridine;pentakis(iridium);2-[3-(4-methylphenyl)benzene-6-id-1-yl]-5-pentylpyridine

5-butyl-2-[3-(3-methylphenyl)benzene-6-id-1-yl]pyridine;2-[3-(3-butylphenyl)-4-fluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-(4-butylphenyl)-4-fluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-(3-butylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-5-methylpyridine;pentakis(iridium);2-[3-(4-methylphenyl)benzene-6-id-1-yl]-5-pentylpyridine (PubChem CID 158399993) has the molecular formula C112H109F5Ir5N5-5 and a molecular weight of 2581.21 g/mol. Its IUPAC name is 5-butyl-2-[3-(3-methylphenyl)benzene-6-id-1-yl]pyridine;2-[3-(3-butylphenyl)-4-fluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-(4-butylphenyl)-4-fluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-(3-butylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-5-methylpyridine;pentakis(iridium);2-[3-(4-methylphenyl)benzene-6-id-1-yl]-5-pentylpyridine.

Molecular Properties

Compound Name5-butyl-2-[3-(3-methylphenyl)benzene-6-id-1-yl]pyridine;2-[3-(3-butylphenyl)-4-fluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-(4-butylphenyl)-4-fluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-(3-butylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-5-methylpyridine;pentakis(iridium);2-[3-(4-methylphenyl)benzene-6-id-1-yl]-5-pentylpyridine
PubChem CID158399993
Molecular FormulaC112H109F5Ir5N5-5
Molecular Weight2581.21 g/mol
Exact Mass2583.68
IUPAC Name5-butyl-2-[3-(3-methylphenyl)benzene-6-id-1-yl]pyridine;2-[3-(3-butylphenyl)-4-fluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-(4-butylphenyl)-4-fluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-(3-butylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-5-methylpyridine;pentakis(iridium);2-[3-(4-methylphenyl)benzene-6-id-1-yl]-5-pentylpyridine
SMILESCCCCCc1ccc(-c2[c-]ccc(-c3ccc(C)cc3)c2)nc1.CCCCc1ccc(-c2[c-]ccc(-c3cccc(C)c3)c2)nc1.CCCCc1ccc(-c2cc(-c3ccc(C)cn3)[c-]cc2F)cc1.CCCCc1cccc(-c2cc(-c3ccc(C)cn3)[c-]cc2C(F)(F)F)c1.CCCCc1cccc(-c2cc(-c3ccc(C)cn3)[c-]cc2F)c1.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C23H21F3N.C23H24N.2C22H21FN.C22H22N.5Ir/c1-3-4-6-17-7-5-8-18(13-17)20-14-19(10-11-21(20)23(24,25)26)22-12-9-16(2)15-27-22;1-3-4-5-7-19-12-15-23(24-17-19)22-9-6-8-21(16-22)20-13-10-18(2)11-14-20;1-3-4-6-17-7-5-8-18(13-17)20-14-19(10-11-21(20)23)22-12-9-16(2)15-24-22;1-3-4-5-17-7-9-18(10-8-17)20-14-19(11-12-21(20)23)22-13-6-16(2)15-24-22;1-3-4-8-18-12-13-22(23-16-18)21-11-6-10-20(15-21)19-9-5-7-17(2)14-19;;;;;/h5,7-9,11-15H,3-4,6H2,1-2H3;6,8,10-17H,3-5,7H2,1-2H3;5,7-9,11-15H,3-4,6H2,1-2H3;6-10,12-15H,3-5H2,1-2H3;5-7,9-10,12-16H,3-4,8H2,1-2H3;;;;;/q5*-1;;;;;
InChIKeyICYSEKWQIUTRNT-UHFFFAOYSA-N
XLogP31.01
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds26
Heavy Atoms127
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002581.21
LogP ≤ 531.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-butyl-2-[3-(3-methylphenyl)benzene-6-id-1-yl]pyridine;2-[3-(3-butylphenyl)-4-fluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-(4-butylphenyl)-4-fluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-(3-butylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-5-methylpyridine;pentakis(iridium);2-[3-(4-methylphenyl)benzene-6-id-1-yl]-5-pentylpyridine with MolForge

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Related Compounds

(2-(4-methyl-5-phenyl-2-pyridinyl-kappaN)phenyl-kappaC)bis(2-(2-pyridinyl-kappaN)phenyl-kappaC) Iridium
CID 59546880
4-Tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium
CID 170518286
Bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium;2-pyridin-2-ylpyridine
CID 170518302
Ru(II)(bpy)2(Mebpy-cyclam-Ni(II))
CID 16683889
Ru(II)(bpy)2(Mebpy-cyclam-Zn(II))
CID 16683890
Ru(II)(bpy)2(Mebpy-cyclam-Cu(II))
CID 16683891
Ru(II)(bpy)2(Mebpy-cyclam-Fe(III)-Cl2)
CID 16683892
Ru(II)(bpy)2(Mebpy-cyclam-Co(III)-Cl2)
CID 16683893
4-Methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium
CID 5494444
[Ir(dF[CF3]ppy)2(dtbbpy)]PF6
CID 60160592
Tris(2-pyridin-2-ylpyridine);ruthenium(2+);bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
CID 72192756
Manganese(2+);tris(2-pyridin-2-ylpyridine);bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
CID 139098886

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-[3-(3-methylphenyl)benzene-6-id-1-yl]pyridine;2-[3-(3-butylphenyl)-4-fluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-(4-butylphenyl)-4-fluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-(3-butylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-5-methylpyridine;pentakis(iridium);2-[3-(4-methylphenyl)benzene-6-id-1-yl]-5-pentylpyridine?
The IUPAC name of 5-butyl-2-[3-(3-methylphenyl)benzene-6-id-1-yl]pyridine;2-[3-(3-butylphenyl)-4-fluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-(4-butylphenyl)-4-fluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-(3-butylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-5-methylpyridine;pentakis(iridium);2-[3-(4-methylphenyl)benzene-6-id-1-yl]-5-pentylpyridine (CID 158399993) is 5-butyl-2-[3-(3-methylphenyl)benzene-6-id-1-yl]pyridine;2-[3-(3-butylphenyl)-4-fluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-(4-butylphenyl)-4-fluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-(3-butylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-5-methylpyridine;pentakis(iridium);2-[3-(4-methylphenyl)benzene-6-id-1-yl]-5-pentylpyridine.
What is the SMILES notation for 5-butyl-2-[3-(3-methylphenyl)benzene-6-id-1-yl]pyridine;2-[3-(3-butylphenyl)-4-fluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-(4-butylphenyl)-4-fluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-(3-butylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-5-methylpyridine;pentakis(iridium);2-[3-(4-methylphenyl)benzene-6-id-1-yl]-5-pentylpyridine?
The canonical SMILES for 5-butyl-2-[3-(3-methylphenyl)benzene-6-id-1-yl]pyridine;2-[3-(3-butylphenyl)-4-fluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-(4-butylphenyl)-4-fluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-(3-butylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-5-methylpyridine;pentakis(iridium);2-[3-(4-methylphenyl)benzene-6-id-1-yl]-5-pentylpyridine is CCCCCc1ccc(-c2[c-]ccc(-c3ccc(C)cc3)c2)nc1.CCCCc1ccc(-c2[c-]ccc(-c3cccc(C)c3)c2)nc1.CCCCc1ccc(-c2cc(-c3ccc(C)cn3)[c-]cc2F)cc1.CCCCc1cccc(-c2cc(-c3ccc(C)cn3)[c-]cc2C(F)(F)F)c1.CCCCc1cccc(-c2cc(-c3ccc(C)cn3)[c-]cc2F)c1.[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 5-butyl-2-[3-(3-methylphenyl)benzene-6-id-1-yl]pyridine;2-[3-(3-butylphenyl)-4-fluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-(4-butylphenyl)-4-fluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-(3-butylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-5-methylpyridine;pentakis(iridium);2-[3-(4-methylphenyl)benzene-6-id-1-yl]-5-pentylpyridine?
The InChIKey is ICYSEKWQIUTRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N.C23H24N.2C22H21FN.C22H22N.5Ir/c1-3-4-6-17-7-5-8-18(13-17)20-14-19(10-11-21(20)23(24,25)26)22-12-9-16(2)15-27-22;1-3-4-5-7-19-12-15-23(24-17-19)22-9-6-8-21(16-22)20-13-10-18(2)11-14-20;1-3-4-6-17-7-5-8-18(13-17)20-14-19(10-11-21(20)23)22-12-9-16(2)15-24-22;1-3-4-5-17-7-9-18(10-8-17)20-14-19(11-12-21(20)23)22-13-6-16(2)15-24-22;1-3-4-8-18-12-13-22(23-16-18)21-11-6-10-20(15-21)19-9-5-7-17(2)14-19;;;;;/h5,7-9,11-15H,3-4,6H2,1-2H3;6,8,10-17H,3-5,7H2,1-2H3;5,7-9,11-15H,3-4,6H2,1-2H3;6-10,12-15H,3-5H2,1-2H3;5-7,9-10,12-16H,3-4,8H2,1-2H3;;;;;/q5*-1;;;;;.
What are the key properties of 5-butyl-2-[3-(3-methylphenyl)benzene-6-id-1-yl]pyridine;2-[3-(3-butylphenyl)-4-fluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-(4-butylphenyl)-4-fluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-(3-butylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-5-methylpyridine;pentakis(iridium);2-[3-(4-methylphenyl)benzene-6-id-1-yl]-5-pentylpyridine?
5-butyl-2-[3-(3-methylphenyl)benzene-6-id-1-yl]pyridine;2-[3-(3-butylphenyl)-4-fluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-(4-butylphenyl)-4-fluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-(3-butylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-5-methylpyridine;pentakis(iridium);2-[3-(4-methylphenyl)benzene-6-id-1-yl]-5-pentylpyridine has a molecular weight of 2581.21 g/mol, XLogP of 31.01, 26 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-[3-(3-methylphenyl)benzene-6-id-1-yl]pyridine;2-[3-(3-butylphenyl)-4-fluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-(4-butylphenyl)-4-fluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-(3-butylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-5-methylpyridine;pentakis(iridium);2-[3-(4-methylphenyl)benzene-6-id-1-yl]-5-pentylpyridine is sourced from PubChem (CID 158399993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).