tris(3,5-dimethyl-1-phenylpyrazole);1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole;tris(rhodium(3+))

C124H99N16ORh3S — CID 158998564

IUPACtris(3,5-dimethyl-1-phenylpyrazole);1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole;tris(rhodium(3+))
SMILESCc1cc(C)n(-c2[c-]cccc2)n1.Cc1cc(C)n(-c2[c-]cccc2)n1.Cc1cc(C)n(-c2[c-]cccc2)n1.Cn1ccnc1-c1[c-]cccc1.[Rh+3].[Rh+3].[Rh+3].[c-]1ccccc1-c1ncco1.[c-]1ccccc1-c1nccs1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1
InChIInChI=1S/3C21H15N2.3C11H11N2.C10H9N2.C9H6NO.C9H6NS.3Rh/c3*1-3-7-17(8-4-1)18-11-13-19(14-12-18)20-15-22-23(16-20)21-9-5-2-6-10-21;3*1-9-8-10(2)13(12-9)11-6-4-3-5-7-11;1-12-8-7-11-10(12)9-5-3-2-4-6-9;2*1-2-4-8(5-3-1)9-10-6-7-11-9;;;/h3*1-9,11-16H;3*3-6,8H,1-2H3;2-5,7-8H,1H3;2*1-4,6-7H;;;/q9*-1;3*+3
InChIKeyKQQAROPZKPVZPJ-UHFFFAOYSA-N
MW2170.05 g/mol
LogP28.52
Rot. Bonds15

About tris(3,5-dimethyl-1-phenylpyrazole);1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole;tris(rhodium(3+))

tris(3,5-dimethyl-1-phenylpyrazole);1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole;tris(rhodium(3+)) (PubChem CID 158998564) has the molecular formula C124H99N16ORh3S and a molecular weight of 2170.05 g/mol. Its IUPAC name is tris(3,5-dimethyl-1-phenylpyrazole);1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole;tris(rhodium(3+)).

Molecular Properties

Compound Nametris(3,5-dimethyl-1-phenylpyrazole);1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole;tris(rhodium(3+))
PubChem CID158998564
Molecular FormulaC124H99N16ORh3S
Molecular Weight2170.05 g/mol
Exact Mass2168.51
IUPAC Nametris(3,5-dimethyl-1-phenylpyrazole);1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole;tris(rhodium(3+))
SMILESCc1cc(C)n(-c2[c-]cccc2)n1.Cc1cc(C)n(-c2[c-]cccc2)n1.Cc1cc(C)n(-c2[c-]cccc2)n1.Cn1ccnc1-c1[c-]cccc1.[Rh+3].[Rh+3].[Rh+3].[c-]1ccccc1-c1ncco1.[c-]1ccccc1-c1nccs1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1
InChIInChI=1S/3C21H15N2.3C11H11N2.C10H9N2.C9H6NO.C9H6NS.3Rh/c3*1-3-7-17(8-4-1)18-11-13-19(14-12-18)20-15-22-23(16-20)21-9-5-2-6-10-21;3*1-9-8-10(2)13(12-9)11-6-4-3-5-7-11;1-12-8-7-11-10(12)9-5-3-2-4-6-9;2*1-2-4-8(5-3-1)9-10-6-7-11-9;;;/h3*1-9,11-16H;3*3-6,8H,1-2H3;2-5,7-8H,1H3;2*1-4,6-7H;;;/q9*-1;3*+3
InChIKeyKQQAROPZKPVZPJ-UHFFFAOYSA-N
XLogP28.52
TPSA163.66 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms145
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002170.05
LogP ≤ 528.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of tris(3,5-dimethyl-1-phenylpyrazole);1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole;tris(rhodium(3+))?
The IUPAC name of tris(3,5-dimethyl-1-phenylpyrazole);1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole;tris(rhodium(3+)) (CID 158998564) is tris(3,5-dimethyl-1-phenylpyrazole);1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole;tris(rhodium(3+)).
What is the SMILES notation for tris(3,5-dimethyl-1-phenylpyrazole);1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole;tris(rhodium(3+))?
The canonical SMILES for tris(3,5-dimethyl-1-phenylpyrazole);1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole;tris(rhodium(3+)) is Cc1cc(C)n(-c2[c-]cccc2)n1.Cc1cc(C)n(-c2[c-]cccc2)n1.Cc1cc(C)n(-c2[c-]cccc2)n1.Cn1ccnc1-c1[c-]cccc1.[Rh+3].[Rh+3].[Rh+3].[c-]1ccccc1-c1ncco1.[c-]1ccccc1-c1nccs1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.
What is the InChIKey of tris(3,5-dimethyl-1-phenylpyrazole);1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole;tris(rhodium(3+))?
The InChIKey is KQQAROPZKPVZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C21H15N2.3C11H11N2.C10H9N2.C9H6NO.C9H6NS.3Rh/c3*1-3-7-17(8-4-1)18-11-13-19(14-12-18)20-15-22-23(16-20)21-9-5-2-6-10-21;3*1-9-8-10(2)13(12-9)11-6-4-3-5-7-11;1-12-8-7-11-10(12)9-5-3-2-4-6-9;2*1-2-4-8(5-3-1)9-10-6-7-11-9;;;/h3*1-9,11-16H;3*3-6,8H,1-2H3;2-5,7-8H,1H3;2*1-4,6-7H;;;/q9*-1;3*+3.
What are the key properties of tris(3,5-dimethyl-1-phenylpyrazole);1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole;tris(rhodium(3+))?
tris(3,5-dimethyl-1-phenylpyrazole);1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole;tris(rhodium(3+)) has a molecular weight of 2170.05 g/mol, XLogP of 28.52, 15 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3,5-dimethyl-1-phenylpyrazole);1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole;tris(rhodium(3+)) is sourced from PubChem (CID 158998564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).