2-(3-tert-butylbenzene-6-id-1-yl)-4-methylpyridine;2-(3-tert-butylbenzene-6-id-1-yl)-5-methylpyridine;2-[3-(4-tert-butylphenyl)benzene-6-id-1-yl]pyridine;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(3-hexylbenzene-6-id-1-yl)pyridine;decakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine

C146H138F6Ir10N10-10 — CID 159707473

IUPAC2-(3-tert-butylbenzene-6-id-1-yl)-4-methylpyridine;2-(3-tert-butylbenzene-6-id-1-yl)-5-methylpyridine;2-[3-(4-tert-butylphenyl)benzene-6-id-1-yl]pyridine;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(3-hexylbenzene-6-id-1-yl)pyridine;decakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
SMILESCC(C)(C)c1ccc(-c2cc[c-]c(-c3ccccn3)c2)cc1.CCCCCCCCc1c[c-]c(-c2ccccn2)cc1.CCCCCCc1cc[c-]c(-c2ccccn2)c1.Cc1ccc(-c2[c-]ccc(C(C)(C)C)c2)nc1.Cc1ccc[c-]c1-c1ccccn1.Cc1ccnc(-c2[c-]ccc(C(C)(C)C)c2)c1.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.Fc1c[c-]c(-c2ccccn2)cc1.Fc1c[c-]c(-c2ccccn2)cc1F.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C21H20N.C19H24N.C17H20N.2C16H18N.C12H7F3N.C12H10N.C11H6F2N.C11H7FN.C11H8N.10Ir/c1-21(2,3)19-12-10-16(11-13-19)17-7-6-8-18(15-17)20-9-4-5-14-22-20;1-2-3-4-5-6-7-10-17-12-14-18(15-13-17)19-11-8-9-16-20-19;1-2-3-4-5-9-15-10-8-11-16(14-15)17-12-6-7-13-18-17;1-12-8-9-15(17-11-12)13-6-5-7-14(10-13)16(2,3)4;1-12-8-9-17-15(10-12)13-6-5-7-14(11-13)16(2,3)4;13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;1-10-6-2-3-7-11(10)12-8-4-5-9-13-12;12-9-5-4-8(7-10(9)13)11-3-1-2-6-14-11;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;;;;;;/h4-7,9-15H,1-3H3;8-9,11-14,16H,2-7,10H2,1H3;6-8,10,12-14H,2-5,9H2,1H3;2*5,7-11H,1-4H3;1-4,6-8H;2-6,8-9H,1H3;1-3,5-7H;1-4,6-8H;1-6,8-9H;;;;;;;;;;/q10*-1;;;;;;;;;;
InChIKeyHBEYYGPLQSGJPD-UHFFFAOYSA-N
MW4068.94 g/mol
LogP38.41
Rot. Bonds23

About 2-(3-tert-butylbenzene-6-id-1-yl)-4-methylpyridine;2-(3-tert-butylbenzene-6-id-1-yl)-5-methylpyridine;2-[3-(4-tert-butylphenyl)benzene-6-id-1-yl]pyridine;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(3-hexylbenzene-6-id-1-yl)pyridine;decakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine

2-(3-tert-butylbenzene-6-id-1-yl)-4-methylpyridine;2-(3-tert-butylbenzene-6-id-1-yl)-5-methylpyridine;2-[3-(4-tert-butylphenyl)benzene-6-id-1-yl]pyridine;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(3-hexylbenzene-6-id-1-yl)pyridine;decakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine (PubChem CID 159707473) has the molecular formula C146H138F6Ir10N10-10 and a molecular weight of 4068.94 g/mol. Its IUPAC name is 2-(3-tert-butylbenzene-6-id-1-yl)-4-methylpyridine;2-(3-tert-butylbenzene-6-id-1-yl)-5-methylpyridine;2-[3-(4-tert-butylphenyl)benzene-6-id-1-yl]pyridine;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(3-hexylbenzene-6-id-1-yl)pyridine;decakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine.

Molecular Properties

Compound Name2-(3-tert-butylbenzene-6-id-1-yl)-4-methylpyridine;2-(3-tert-butylbenzene-6-id-1-yl)-5-methylpyridine;2-[3-(4-tert-butylphenyl)benzene-6-id-1-yl]pyridine;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(3-hexylbenzene-6-id-1-yl)pyridine;decakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
PubChem CID159707473
Molecular FormulaC146H138F6Ir10N10-10
Molecular Weight4068.94 g/mol
Exact Mass4074.74
IUPAC Name2-(3-tert-butylbenzene-6-id-1-yl)-4-methylpyridine;2-(3-tert-butylbenzene-6-id-1-yl)-5-methylpyridine;2-[3-(4-tert-butylphenyl)benzene-6-id-1-yl]pyridine;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(3-hexylbenzene-6-id-1-yl)pyridine;decakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
SMILESCC(C)(C)c1ccc(-c2cc[c-]c(-c3ccccn3)c2)cc1.CCCCCCCCc1c[c-]c(-c2ccccn2)cc1.CCCCCCc1cc[c-]c(-c2ccccn2)c1.Cc1ccc(-c2[c-]ccc(C(C)(C)C)c2)nc1.Cc1ccc[c-]c1-c1ccccn1.Cc1ccnc(-c2[c-]ccc(C(C)(C)C)c2)c1.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.Fc1c[c-]c(-c2ccccn2)cc1.Fc1c[c-]c(-c2ccccn2)cc1F.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C21H20N.C19H24N.C17H20N.2C16H18N.C12H7F3N.C12H10N.C11H6F2N.C11H7FN.C11H8N.10Ir/c1-21(2,3)19-12-10-16(11-13-19)17-7-6-8-18(15-17)20-9-4-5-14-22-20;1-2-3-4-5-6-7-10-17-12-14-18(15-13-17)19-11-8-9-16-20-19;1-2-3-4-5-9-15-10-8-11-16(14-15)17-12-6-7-13-18-17;1-12-8-9-15(17-11-12)13-6-5-7-14(10-13)16(2,3)4;1-12-8-9-17-15(10-12)13-6-5-7-14(11-13)16(2,3)4;13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;1-10-6-2-3-7-11(10)12-8-4-5-9-13-12;12-9-5-4-8(7-10(9)13)11-3-1-2-6-14-11;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;;;;;;/h4-7,9-15H,1-3H3;8-9,11-14,16H,2-7,10H2,1H3;6-8,10,12-14H,2-5,9H2,1H3;2*5,7-11H,1-4H3;1-4,6-8H;2-6,8-9H,1H3;1-3,5-7H;1-4,6-8H;1-6,8-9H;;;;;;;;;;/q10*-1;;;;;;;;;;
InChIKeyHBEYYGPLQSGJPD-UHFFFAOYSA-N
XLogP38.41
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms172
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004068.94
LogP ≤ 538.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-(3-tert-butylbenzene-6-id-1-yl)-4-methylpyridine;2-(3-tert-butylbenzene-6-id-1-yl)-5-methylpyridine;2-[3-(4-tert-butylphenyl)benzene-6-id-1-yl]pyridine;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(3-hexylbenzene-6-id-1-yl)pyridine;decakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylbenzene-6-id-1-yl)-4-methylpyridine;2-(3-tert-butylbenzene-6-id-1-yl)-5-methylpyridine;2-[3-(4-tert-butylphenyl)benzene-6-id-1-yl]pyridine;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(3-hexylbenzene-6-id-1-yl)pyridine;decakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
The IUPAC name of 2-(3-tert-butylbenzene-6-id-1-yl)-4-methylpyridine;2-(3-tert-butylbenzene-6-id-1-yl)-5-methylpyridine;2-[3-(4-tert-butylphenyl)benzene-6-id-1-yl]pyridine;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(3-hexylbenzene-6-id-1-yl)pyridine;decakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine (CID 159707473) is 2-(3-tert-butylbenzene-6-id-1-yl)-4-methylpyridine;2-(3-tert-butylbenzene-6-id-1-yl)-5-methylpyridine;2-[3-(4-tert-butylphenyl)benzene-6-id-1-yl]pyridine;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(3-hexylbenzene-6-id-1-yl)pyridine;decakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine.
What is the SMILES notation for 2-(3-tert-butylbenzene-6-id-1-yl)-4-methylpyridine;2-(3-tert-butylbenzene-6-id-1-yl)-5-methylpyridine;2-[3-(4-tert-butylphenyl)benzene-6-id-1-yl]pyridine;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(3-hexylbenzene-6-id-1-yl)pyridine;decakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
The canonical SMILES for 2-(3-tert-butylbenzene-6-id-1-yl)-4-methylpyridine;2-(3-tert-butylbenzene-6-id-1-yl)-5-methylpyridine;2-[3-(4-tert-butylphenyl)benzene-6-id-1-yl]pyridine;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(3-hexylbenzene-6-id-1-yl)pyridine;decakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine is CC(C)(C)c1ccc(-c2cc[c-]c(-c3ccccn3)c2)cc1.CCCCCCCCc1c[c-]c(-c2ccccn2)cc1.CCCCCCc1cc[c-]c(-c2ccccn2)c1.Cc1ccc(-c2[c-]ccc(C(C)(C)C)c2)nc1.Cc1ccc[c-]c1-c1ccccn1.Cc1ccnc(-c2[c-]ccc(C(C)(C)C)c2)c1.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.Fc1c[c-]c(-c2ccccn2)cc1.Fc1c[c-]c(-c2ccccn2)cc1F.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 2-(3-tert-butylbenzene-6-id-1-yl)-4-methylpyridine;2-(3-tert-butylbenzene-6-id-1-yl)-5-methylpyridine;2-[3-(4-tert-butylphenyl)benzene-6-id-1-yl]pyridine;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(3-hexylbenzene-6-id-1-yl)pyridine;decakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
The InChIKey is HBEYYGPLQSGJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N.C19H24N.C17H20N.2C16H18N.C12H7F3N.C12H10N.C11H6F2N.C11H7FN.C11H8N.10Ir/c1-21(2,3)19-12-10-16(11-13-19)17-7-6-8-18(15-17)20-9-4-5-14-22-20;1-2-3-4-5-6-7-10-17-12-14-18(15-13-17)19-11-8-9-16-20-19;1-2-3-4-5-9-15-10-8-11-16(14-15)17-12-6-7-13-18-17;1-12-8-9-15(17-11-12)13-6-5-7-14(10-13)16(2,3)4;1-12-8-9-17-15(10-12)13-6-5-7-14(11-13)16(2,3)4;13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;1-10-6-2-3-7-11(10)12-8-4-5-9-13-12;12-9-5-4-8(7-10(9)13)11-3-1-2-6-14-11;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;;;;;;/h4-7,9-15H,1-3H3;8-9,11-14,16H,2-7,10H2,1H3;6-8,10,12-14H,2-5,9H2,1H3;2*5,7-11H,1-4H3;1-4,6-8H;2-6,8-9H,1H3;1-3,5-7H;1-4,6-8H;1-6,8-9H;;;;;;;;;;/q10*-1;;;;;;;;;;.
What are the key properties of 2-(3-tert-butylbenzene-6-id-1-yl)-4-methylpyridine;2-(3-tert-butylbenzene-6-id-1-yl)-5-methylpyridine;2-[3-(4-tert-butylphenyl)benzene-6-id-1-yl]pyridine;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(3-hexylbenzene-6-id-1-yl)pyridine;decakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
2-(3-tert-butylbenzene-6-id-1-yl)-4-methylpyridine;2-(3-tert-butylbenzene-6-id-1-yl)-5-methylpyridine;2-[3-(4-tert-butylphenyl)benzene-6-id-1-yl]pyridine;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(3-hexylbenzene-6-id-1-yl)pyridine;decakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine has a molecular weight of 4068.94 g/mol, XLogP of 38.41, 23 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylbenzene-6-id-1-yl)-4-methylpyridine;2-(3-tert-butylbenzene-6-id-1-yl)-5-methylpyridine;2-[3-(4-tert-butylphenyl)benzene-6-id-1-yl]pyridine;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(3-hexylbenzene-6-id-1-yl)pyridine;decakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine is sourced from PubChem (CID 159707473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).