3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;bis(3,5-dimethyl-1-phenylpyrazole);3-methyl-2-phenyl-3H-pyrazol-2-ium;2-phenyl-1,3-oxazole;1-phenyl-4-(4-phenylphenyl)pyrazole;1-phenyl-4-(4-phenylphenyl)triazole;2-phenyl-4-(4-phenylphenyl)triazole;tetrakis(rhodium(2+))

C125H100N17ORh4+ — CID 158765504

IUPAC3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;bis(3,5-dimethyl-1-phenylpyrazole);3-methyl-2-phenyl-3H-pyrazol-2-ium;2-phenyl-1,3-oxazole;1-phenyl-4-(4-phenylphenyl)pyrazole;1-phenyl-4-(4-phenylphenyl)triazole;2-phenyl-4-(4-phenylphenyl)triazole;tetrakis(rhodium(2+))
SMILESCC1C=CN=[N+]1c1[c-]cccc1.Cc1cc(C)n(-c2[c-]cccc2)n1.Cc1cc(C)n(-c2[c-]cccc2)n1.Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc(-c2ccccc2)cc1.[Rh+2].[Rh+2].[Rh+2].[Rh+2].[c-]1ccccc1-c1ncco1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)nn1.[c-]1ccccc1-n1ncc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C23H19N2.C21H15N2.2C20H14N3.2C11H11N2.C10H10N2.C9H6NO.4Rh/c1-17-23(18(2)25(24-17)22-11-7-4-8-12-22)21-15-13-20(14-16-21)19-9-5-3-6-10-19;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;1-3-7-16(8-4-1)17-11-13-18(14-12-17)20-15-23(22-21-20)19-9-5-2-6-10-19;1-3-7-16(8-4-1)17-11-13-18(14-12-17)20-15-21-23(22-20)19-9-5-2-6-10-19;2*1-9-8-10(2)13(12-9)11-6-4-3-5-7-11;1-9-7-8-11-12(9)10-5-3-2-4-6-10;1-2-4-8(5-3-1)9-10-6-7-11-9;;;;/h3-11,13-16H,1-2H3;1-9,11-16H;2*1-9,11-15H;2*3-6,8H,1-2H3;2-5,7-9H,1H3;1-4,6-7H;;;;/q6*-1;;-1;4*+2
InChIKeyCPWJIGIMLCWCGT-UHFFFAOYSA-N
MW2267.92 g/mol
LogP28.64
Rot. Bonds16

About 3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;bis(3,5-dimethyl-1-phenylpyrazole);3-methyl-2-phenyl-3H-pyrazol-2-ium;2-phenyl-1,3-oxazole;1-phenyl-4-(4-phenylphenyl)pyrazole;1-phenyl-4-(4-phenylphenyl)triazole;2-phenyl-4-(4-phenylphenyl)triazole;tetrakis(rhodium(2+))

3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;bis(3,5-dimethyl-1-phenylpyrazole);3-methyl-2-phenyl-3H-pyrazol-2-ium;2-phenyl-1,3-oxazole;1-phenyl-4-(4-phenylphenyl)pyrazole;1-phenyl-4-(4-phenylphenyl)triazole;2-phenyl-4-(4-phenylphenyl)triazole;tetrakis(rhodium(2+)) (PubChem CID 158765504) has the molecular formula C125H100N17ORh4+ and a molecular weight of 2267.92 g/mol. Its IUPAC name is 3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;bis(3,5-dimethyl-1-phenylpyrazole);3-methyl-2-phenyl-3H-pyrazol-2-ium;2-phenyl-1,3-oxazole;1-phenyl-4-(4-phenylphenyl)pyrazole;1-phenyl-4-(4-phenylphenyl)triazole;2-phenyl-4-(4-phenylphenyl)triazole;tetrakis(rhodium(2+)).

Molecular Properties

Compound Name3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;bis(3,5-dimethyl-1-phenylpyrazole);3-methyl-2-phenyl-3H-pyrazol-2-ium;2-phenyl-1,3-oxazole;1-phenyl-4-(4-phenylphenyl)pyrazole;1-phenyl-4-(4-phenylphenyl)triazole;2-phenyl-4-(4-phenylphenyl)triazole;tetrakis(rhodium(2+))
PubChem CID158765504
Molecular FormulaC125H100N17ORh4+
Molecular Weight2267.92 g/mol
Exact Mass2266.45
IUPAC Name3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;bis(3,5-dimethyl-1-phenylpyrazole);3-methyl-2-phenyl-3H-pyrazol-2-ium;2-phenyl-1,3-oxazole;1-phenyl-4-(4-phenylphenyl)pyrazole;1-phenyl-4-(4-phenylphenyl)triazole;2-phenyl-4-(4-phenylphenyl)triazole;tetrakis(rhodium(2+))
SMILESCC1C=CN=[N+]1c1[c-]cccc1.Cc1cc(C)n(-c2[c-]cccc2)n1.Cc1cc(C)n(-c2[c-]cccc2)n1.Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc(-c2ccccc2)cc1.[Rh+2].[Rh+2].[Rh+2].[Rh+2].[c-]1ccccc1-c1ncco1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)nn1.[c-]1ccccc1-n1ncc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C23H19N2.C21H15N2.2C20H14N3.2C11H11N2.C10H10N2.C9H6NO.4Rh/c1-17-23(18(2)25(24-17)22-11-7-4-8-12-22)21-15-13-20(14-16-21)19-9-5-3-6-10-19;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;1-3-7-16(8-4-1)17-11-13-18(14-12-17)20-15-23(22-21-20)19-9-5-2-6-10-19;1-3-7-16(8-4-1)17-11-13-18(14-12-17)20-15-21-23(22-20)19-9-5-2-6-10-19;2*1-9-8-10(2)13(12-9)11-6-4-3-5-7-11;1-9-7-8-11-12(9)10-5-3-2-4-6-10;1-2-4-8(5-3-1)9-10-6-7-11-9;;;;/h3-11,13-16H,1-2H3;1-9,11-16H;2*1-9,11-15H;2*3-6,8H,1-2H3;2-5,7-9H,1H3;1-4,6-7H;;;;/q6*-1;;-1;4*+2
InChIKeyCPWJIGIMLCWCGT-UHFFFAOYSA-N
XLogP28.64
TPSA174.10 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds16
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002267.92
LogP ≤ 528.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;bis(3,5-dimethyl-1-phenylpyrazole);3-methyl-2-phenyl-3H-pyrazol-2-ium;2-phenyl-1,3-oxazole;1-phenyl-4-(4-phenylphenyl)pyrazole;1-phenyl-4-(4-phenylphenyl)triazole;2-phenyl-4-(4-phenylphenyl)triazole;tetrakis(rhodium(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;bis(3,5-dimethyl-1-phenylpyrazole);3-methyl-2-phenyl-3H-pyrazol-2-ium;2-phenyl-1,3-oxazole;1-phenyl-4-(4-phenylphenyl)pyrazole;1-phenyl-4-(4-phenylphenyl)triazole;2-phenyl-4-(4-phenylphenyl)triazole;tetrakis(rhodium(2+))?
The IUPAC name of 3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;bis(3,5-dimethyl-1-phenylpyrazole);3-methyl-2-phenyl-3H-pyrazol-2-ium;2-phenyl-1,3-oxazole;1-phenyl-4-(4-phenylphenyl)pyrazole;1-phenyl-4-(4-phenylphenyl)triazole;2-phenyl-4-(4-phenylphenyl)triazole;tetrakis(rhodium(2+)) (CID 158765504) is 3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;bis(3,5-dimethyl-1-phenylpyrazole);3-methyl-2-phenyl-3H-pyrazol-2-ium;2-phenyl-1,3-oxazole;1-phenyl-4-(4-phenylphenyl)pyrazole;1-phenyl-4-(4-phenylphenyl)triazole;2-phenyl-4-(4-phenylphenyl)triazole;tetrakis(rhodium(2+)).
What is the SMILES notation for 3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;bis(3,5-dimethyl-1-phenylpyrazole);3-methyl-2-phenyl-3H-pyrazol-2-ium;2-phenyl-1,3-oxazole;1-phenyl-4-(4-phenylphenyl)pyrazole;1-phenyl-4-(4-phenylphenyl)triazole;2-phenyl-4-(4-phenylphenyl)triazole;tetrakis(rhodium(2+))?
The canonical SMILES for 3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;bis(3,5-dimethyl-1-phenylpyrazole);3-methyl-2-phenyl-3H-pyrazol-2-ium;2-phenyl-1,3-oxazole;1-phenyl-4-(4-phenylphenyl)pyrazole;1-phenyl-4-(4-phenylphenyl)triazole;2-phenyl-4-(4-phenylphenyl)triazole;tetrakis(rhodium(2+)) is CC1C=CN=[N+]1c1[c-]cccc1.Cc1cc(C)n(-c2[c-]cccc2)n1.Cc1cc(C)n(-c2[c-]cccc2)n1.Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc(-c2ccccc2)cc1.[Rh+2].[Rh+2].[Rh+2].[Rh+2].[c-]1ccccc1-c1ncco1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)nn1.[c-]1ccccc1-n1ncc(-c2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of 3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;bis(3,5-dimethyl-1-phenylpyrazole);3-methyl-2-phenyl-3H-pyrazol-2-ium;2-phenyl-1,3-oxazole;1-phenyl-4-(4-phenylphenyl)pyrazole;1-phenyl-4-(4-phenylphenyl)triazole;2-phenyl-4-(4-phenylphenyl)triazole;tetrakis(rhodium(2+))?
The InChIKey is CPWJIGIMLCWCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N2.C21H15N2.2C20H14N3.2C11H11N2.C10H10N2.C9H6NO.4Rh/c1-17-23(18(2)25(24-17)22-11-7-4-8-12-22)21-15-13-20(14-16-21)19-9-5-3-6-10-19;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;1-3-7-16(8-4-1)17-11-13-18(14-12-17)20-15-23(22-21-20)19-9-5-2-6-10-19;1-3-7-16(8-4-1)17-11-13-18(14-12-17)20-15-21-23(22-20)19-9-5-2-6-10-19;2*1-9-8-10(2)13(12-9)11-6-4-3-5-7-11;1-9-7-8-11-12(9)10-5-3-2-4-6-10;1-2-4-8(5-3-1)9-10-6-7-11-9;;;;/h3-11,13-16H,1-2H3;1-9,11-16H;2*1-9,11-15H;2*3-6,8H,1-2H3;2-5,7-9H,1H3;1-4,6-7H;;;;/q6*-1;;-1;4*+2.
What are the key properties of 3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;bis(3,5-dimethyl-1-phenylpyrazole);3-methyl-2-phenyl-3H-pyrazol-2-ium;2-phenyl-1,3-oxazole;1-phenyl-4-(4-phenylphenyl)pyrazole;1-phenyl-4-(4-phenylphenyl)triazole;2-phenyl-4-(4-phenylphenyl)triazole;tetrakis(rhodium(2+))?
3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;bis(3,5-dimethyl-1-phenylpyrazole);3-methyl-2-phenyl-3H-pyrazol-2-ium;2-phenyl-1,3-oxazole;1-phenyl-4-(4-phenylphenyl)pyrazole;1-phenyl-4-(4-phenylphenyl)triazole;2-phenyl-4-(4-phenylphenyl)triazole;tetrakis(rhodium(2+)) has a molecular weight of 2267.92 g/mol, XLogP of 28.64, 16 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;bis(3,5-dimethyl-1-phenylpyrazole);3-methyl-2-phenyl-3H-pyrazol-2-ium;2-phenyl-1,3-oxazole;1-phenyl-4-(4-phenylphenyl)pyrazole;1-phenyl-4-(4-phenylphenyl)triazole;2-phenyl-4-(4-phenylphenyl)triazole;tetrakis(rhodium(2+)) is sourced from PubChem (CID 158765504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).