3,5-dimethyl-1-phenylpyrazole;pentakis(iridium);1-(3-isocyanobenzene-6-id-1-yl)pyrazole;1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;1-(3-phenylbenzene-6-id-1-yl)pyrazole;2-phenyl-1,3-oxazole;4-phenyl-1,3-oxazole;bis(1-phenylpyrazole);4-phenyl-1,3-thiazole

C101H78Ir5N18O2S-10 — CID 160633215

About 3,5-dimethyl-1-phenylpyrazole;pentakis(iridium);1-(3-isocyanobenzene-6-id-1-yl)pyrazole;1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;1-(3-phenylbenzene-6-id-1-yl)pyrazole;2-phenyl-1,3-oxazole;4-phenyl-1,3-oxazole;bis(1-phenylpyrazole);4-phenyl-1,3-thiazole

3,5-dimethyl-1-phenylpyrazole;pentakis(iridium);1-(3-isocyanobenzene-6-id-1-yl)pyrazole;1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;1-(3-phenylbenzene-6-id-1-yl)pyrazole;2-phenyl-1,3-oxazole;4-phenyl-1,3-oxazole;bis(1-phenylpyrazole);4-phenyl-1,3-thiazole (PubChem CID 160633215) has the molecular formula C101H78Ir5N18O2S-10 and a molecular weight of 2569.01 g/mol. Its IUPAC name is 3,5-dimethyl-1-phenylpyrazole;pentakis(iridium);1-(3-isocyanobenzene-6-id-1-yl)pyrazole;1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;1-(3-phenylbenzene-6-id-1-yl)pyrazole;2-phenyl-1,3-oxazole;4-phenyl-1,3-oxazole;bis(1-phenylpyrazole);4-phenyl-1,3-thiazole.

Molecular Properties

• Compound Name: 3,5-dimethyl-1-phenylpyrazole;pentakis(iridium);1-(3-isocyanobenzene-6-id-1-yl)pyrazole;1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;1-(3-phenylbenzene-6-id-1-yl)pyrazole;2-phenyl-1,3-oxazole;4-phenyl-1,3-oxazole;bis(1-phenylpyrazole);4-phenyl-1,3-thiazole
• PubChem CID: 160633215
• Molecular Formula: C101H78Ir5N18O2S-10
• Molecular Weight: 2569.01 g/mol
• Exact Mass: 2571.45
• IUPAC Name: 3,5-dimethyl-1-phenylpyrazole;pentakis(iridium);1-(3-isocyanobenzene-6-id-1-yl)pyrazole;1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;1-(3-phenylbenzene-6-id-1-yl)pyrazole;2-phenyl-1,3-oxazole;4-phenyl-1,3-oxazole;bis(1-phenylpyrazole);4-phenyl-1,3-thiazole
• SMILES: Cc1cc(C)n(-c2[c-]cccc2)n1.Cn1ccnc1-c1[c-]cccc1.Cn1cnc(-c2[c-]cccc2)c1.[C-]#[N+]c1cc[c-]c(-n2cccn2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)cc1-n1cccn1.[c-]1ccccc1-c1cocn1.[c-]1ccccc1-c1cscn1.[c-]1ccccc1-c1ncco1.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1
• InChI: InChI=1S/C15H11N2.C11H11N2.C10H6N3.2C10H9N2.2C9H7N2.2C9H6NO.C9H6NS.5Ir/c1-2-6-13(7-3-1)14-8-4-9-15(12-14)17-11-5-10-16-17;1-9-8-10(2)13(12-9)11-6-4-3-5-7-11;1-11-9-4-2-5-10(8-9)13-7-3-6-12-13;1-12-7-10(11-8-12)9-5-3-2-4-6-9;1-12-8-7-11-10(12)9-5-3-2-4-6-9;2*1-2-5-9(6-3-1)11-8-4-7-10-11;1-2-4-8(5-3-1)9-6-11-7-10-9;1-2-4-8(5-3-1)9-10-6-7-11-9;1-2-4-8(5-3-1)9-6-11-7-10-9;;;;;/h1-8,10-12H;3-6,8H,1-2H3;2-4,6-8H;2*2-5,7-8H,1H3;2*1-5,7-8H;3*1-4,6-7H;;;;;/q10*-1
• InChIKey: QSXBGNBFMUAUDT-UHFFFAOYSA-N
• XLogP: 21.85
• TPSA: 194.05 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 11
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2569.01
LogP ≤ 5	21.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-phenylpyrazole;pentakis(iridium);1-(3-isocyanobenzene-6-id-1-yl)pyrazole;1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;1-(3-phenylbenzene-6-id-1-yl)pyrazole;2-phenyl-1,3-oxazole;4-phenyl-1,3-oxazole;bis(1-phenylpyrazole);4-phenyl-1,3-thiazole?

The IUPAC name of 3,5-dimethyl-1-phenylpyrazole;pentakis(iridium);1-(3-isocyanobenzene-6-id-1-yl)pyrazole;1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;1-(3-phenylbenzene-6-id-1-yl)pyrazole;2-phenyl-1,3-oxazole;4-phenyl-1,3-oxazole;bis(1-phenylpyrazole);4-phenyl-1,3-thiazole (CID 160633215) is 3,5-dimethyl-1-phenylpyrazole;pentakis(iridium);1-(3-isocyanobenzene-6-id-1-yl)pyrazole;1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;1-(3-phenylbenzene-6-id-1-yl)pyrazole;2-phenyl-1,3-oxazole;4-phenyl-1,3-oxazole;bis(1-phenylpyrazole);4-phenyl-1,3-thiazole.

What is the SMILES notation for 3,5-dimethyl-1-phenylpyrazole;pentakis(iridium);1-(3-isocyanobenzene-6-id-1-yl)pyrazole;1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;1-(3-phenylbenzene-6-id-1-yl)pyrazole;2-phenyl-1,3-oxazole;4-phenyl-1,3-oxazole;bis(1-phenylpyrazole);4-phenyl-1,3-thiazole?

The canonical SMILES for 3,5-dimethyl-1-phenylpyrazole;pentakis(iridium);1-(3-isocyanobenzene-6-id-1-yl)pyrazole;1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;1-(3-phenylbenzene-6-id-1-yl)pyrazole;2-phenyl-1,3-oxazole;4-phenyl-1,3-oxazole;bis(1-phenylpyrazole);4-phenyl-1,3-thiazole is Cc1cc(C)n(-c2[c-]cccc2)n1.Cn1ccnc1-c1[c-]cccc1.Cn1cnc(-c2[c-]cccc2)c1.[C-]#[N+]c1cc[c-]c(-n2cccn2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)cc1-n1cccn1.[c-]1ccccc1-c1cocn1.[c-]1ccccc1-c1cscn1.[c-]1ccccc1-c1ncco1.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1.

What is the InChIKey of 3,5-dimethyl-1-phenylpyrazole;pentakis(iridium);1-(3-isocyanobenzene-6-id-1-yl)pyrazole;1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;1-(3-phenylbenzene-6-id-1-yl)pyrazole;2-phenyl-1,3-oxazole;4-phenyl-1,3-oxazole;bis(1-phenylpyrazole);4-phenyl-1,3-thiazole?

The InChIKey is QSXBGNBFMUAUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N2.C11H11N2.C10H6N3.2C10H9N2.2C9H7N2.2C9H6NO.C9H6NS.5Ir/c1-2-6-13(7-3-1)14-8-4-9-15(12-14)17-11-5-10-16-17;1-9-8-10(2)13(12-9)11-6-4-3-5-7-11;1-11-9-4-2-5-10(8-9)13-7-3-6-12-13;1-12-7-10(11-8-12)9-5-3-2-4-6-9;1-12-8-7-11-10(12)9-5-3-2-4-6-9;2*1-2-5-9(6-3-1)11-8-4-7-10-11;1-2-4-8(5-3-1)9-6-11-7-10-9;1-2-4-8(5-3-1)9-10-6-7-11-9;1-2-4-8(5-3-1)9-6-11-7-10-9;;;;;/h1-8,10-12H;3-6,8H,1-2H3;2-4,6-8H;2*2-5,7-8H,1H3;2*1-5,7-8H;3*1-4,6-7H;;;;;/q10*-1;;;;;.

What are the key properties of 3,5-dimethyl-1-phenylpyrazole;pentakis(iridium);1-(3-isocyanobenzene-6-id-1-yl)pyrazole;1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;1-(3-phenylbenzene-6-id-1-yl)pyrazole;2-phenyl-1,3-oxazole;4-phenyl-1,3-oxazole;bis(1-phenylpyrazole);4-phenyl-1,3-thiazole?

3,5-dimethyl-1-phenylpyrazole;pentakis(iridium);1-(3-isocyanobenzene-6-id-1-yl)pyrazole;1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;1-(3-phenylbenzene-6-id-1-yl)pyrazole;2-phenyl-1,3-oxazole;4-phenyl-1,3-oxazole;bis(1-phenylpyrazole);4-phenyl-1,3-thiazole has a molecular weight of 2569.01 g/mol, XLogP of 21.85, 11 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-1-phenylpyrazole;pentakis(iridium);1-(3-isocyanobenzene-6-id-1-yl)pyrazole;1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;1-(3-phenylbenzene-6-id-1-yl)pyrazole;2-phenyl-1,3-oxazole;4-phenyl-1,3-oxazole;bis(1-phenylpyrazole);4-phenyl-1,3-thiazole is sourced from PubChem (CID 160633215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).