2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;pentakis(2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine);2,6-dimethylheptane-3,5-diol;pentakis(iridium);2,2,6,6-tetramethylheptane-3,5-diol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C192H211F3Ir5N20O4-8 — CID 161182132

About 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;pentakis(2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine);2,6-dimethylheptane-3,5-diol;pentakis(iridium);2,2,6,6-tetramethylheptane-3,5-diol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;pentakis(2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine);2,6-dimethylheptane-3,5-diol;pentakis(iridium);2,2,6,6-tetramethylheptane-3,5-diol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 161182132) has the molecular formula C192H211F3Ir5N20O4-8 and a molecular weight of 3881.01 g/mol. Its IUPAC name is 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;pentakis(2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine);2,6-dimethylheptane-3,5-diol;pentakis(iridium);2,2,6,6-tetramethylheptane-3,5-diol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

• Compound Name: 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;pentakis(2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine);2,6-dimethylheptane-3,5-diol;pentakis(iridium);2,2,6,6-tetramethylheptane-3,5-diol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• PubChem CID: 161182132
• Molecular Formula: C192H211F3Ir5N20O4-8
• Molecular Weight: 3881.01 g/mol
• Exact Mass: 3882.51
• IUPAC Name: 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;pentakis(2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine);2,6-dimethylheptane-3,5-diol;pentakis(iridium);2,2,6,6-tetramethylheptane-3,5-diol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• SMILES: CC(C)(C)C(O)CC(O)C(C)(C)C.CC(C)(C)c1cc(-c2ccccn2)[n-]n1.CC(C)(C)c1n[n-]c(-c2ccccn2)n1.CC(C)C(O)CC(O)C(C)C.Cc1[c-]c(-c2ncc(-c3c(C)cccc3C)nc2-c2cc(C)cc(C)c2)cc(C)c1.Cc1[c-]c(-c2ncc(-c3c(C)cccc3C)nc2-c2cc(C)cc(C)c2)cc(C)c1.Cc1[c-]c(-c2ncc(-c3c(C)cccc3C)nc2-c2cc(C)cc(C)c2)cc(C)c1.Cc1[c-]c(-c2ncc(-c3c(C)cccc3C)nc2-c2cc(C)cc(C)c2)cc(C)c1.Cc1[c-]c(-c2ncc(-c3c(C)cccc3C)nc2-c2cc(C)cc(C)c2)cc(C)c1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/5C28H27N2.C12H14N3.C11H13N4.C11H24O2.C9H5F3N3.C9H20O2.5Ir/c5*1-17-10-18(2)13-23(12-17)27-28(24-14-19(3)11-20(4)15-24)30-25(16-29-27)26-21(5)8-7-9-22(26)6;1-12(2,3)11-8-10(14-15-11)9-6-4-5-7-13-9;1-11(2,3)10-13-9(14-15-10)8-6-4-5-7-12-8;1-10(2,3)8(12)7-9(13)11(4,5)6;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-6(2)8(10)5-9(11)7(3)4;;;;;/h5*7-12,14-16H,1-6H3;4-8H,1-3H3;4-7H,1-3H3;8-9,12-13H,7H2,1-6H3;1-5H;6-11H,5H2,1-4H3;;;;;/q7*-1;;-1
• InChIKey: SGJGXMQRAWLHTH-UHFFFAOYSA-N
• XLogP: 45.54
• TPSA: 342.35 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 24
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3881.01
LogP ≤ 5	45.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;pentakis(2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine);2,6-dimethylheptane-3,5-diol;pentakis(iridium);2,2,6,6-tetramethylheptane-3,5-diol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The IUPAC name of 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;pentakis(2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine);2,6-dimethylheptane-3,5-diol;pentakis(iridium);2,2,6,6-tetramethylheptane-3,5-diol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 161182132) is 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;pentakis(2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine);2,6-dimethylheptane-3,5-diol;pentakis(iridium);2,2,6,6-tetramethylheptane-3,5-diol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

What is the SMILES notation for 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;pentakis(2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine);2,6-dimethylheptane-3,5-diol;pentakis(iridium);2,2,6,6-tetramethylheptane-3,5-diol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The canonical SMILES for 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;pentakis(2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine);2,6-dimethylheptane-3,5-diol;pentakis(iridium);2,2,6,6-tetramethylheptane-3,5-diol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is CC(C)(C)C(O)CC(O)C(C)(C)C.CC(C)(C)c1cc(-c2ccccn2)[n-]n1.CC(C)(C)c1n[n-]c(-c2ccccn2)n1.CC(C)C(O)CC(O)C(C)C.Cc1[c-]c(-c2ncc(-c3c(C)cccc3C)nc2-c2cc(C)cc(C)c2)cc(C)c1.Cc1[c-]c(-c2ncc(-c3c(C)cccc3C)nc2-c2cc(C)cc(C)c2)cc(C)c1.Cc1[c-]c(-c2ncc(-c3c(C)cccc3C)nc2-c2cc(C)cc(C)c2)cc(C)c1.Cc1[c-]c(-c2ncc(-c3c(C)cccc3C)nc2-c2cc(C)cc(C)c2)cc(C)c1.Cc1[c-]c(-c2ncc(-c3c(C)cccc3C)nc2-c2cc(C)cc(C)c2)cc(C)c1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;pentakis(2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine);2,6-dimethylheptane-3,5-diol;pentakis(iridium);2,2,6,6-tetramethylheptane-3,5-diol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The InChIKey is SGJGXMQRAWLHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/5C28H27N2.C12H14N3.C11H13N4.C11H24O2.C9H5F3N3.C9H20O2.5Ir/c5*1-17-10-18(2)13-23(12-17)27-28(24-14-19(3)11-20(4)15-24)30-25(16-29-27)26-21(5)8-7-9-22(26)6;1-12(2,3)11-8-10(14-15-11)9-6-4-5-7-13-9;1-11(2,3)10-13-9(14-15-10)8-6-4-5-7-12-8;1-10(2,3)8(12)7-9(13)11(4,5)6;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-6(2)8(10)5-9(11)7(3)4;;;;;/h5*7-12,14-16H,1-6H3;4-8H,1-3H3;4-7H,1-3H3;8-9,12-13H,7H2,1-6H3;1-5H;6-11H,5H2,1-4H3;;;;;/q7*-1;;-1;;;;;;.

What are the key properties of 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;pentakis(2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine);2,6-dimethylheptane-3,5-diol;pentakis(iridium);2,2,6,6-tetramethylheptane-3,5-diol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;pentakis(2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine);2,6-dimethylheptane-3,5-diol;pentakis(iridium);2,2,6,6-tetramethylheptane-3,5-diol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 3881.01 g/mol, XLogP of 45.54, 24 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;pentakis(2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine);2,6-dimethylheptane-3,5-diol;pentakis(iridium);2,2,6,6-tetramethylheptane-3,5-diol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 161182132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).