bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);1-methyl-2-phenyl-5-(4-phenylphenyl)imidazole;2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);bis(rhodium(3+))

C131H99N11ORh2 — CID 158048449

IUPACbis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);1-methyl-2-phenyl-5-(4-phenylphenyl)imidazole;2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);bis(rhodium(3+))
SMILESCc1nn(-c2[c-]cccc2)c(C)c1-c1ccc(-c2ccccc2)cc1.Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc(-c2ccccc2)cc1.Cn1c(-c2ccc(-c3ccccc3)cc2)cnc1-c1[c-]cccc1.[Rh+3].[Rh+3].[c-]1ccccc1-c1ncc(-c2ccc(-c3ccccc3)cc2)o1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1
InChIInChI=1S/2C23H19N2.C22H17N2.2C21H15N2.C21H14NO.2Rh/c2*1-17-23(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;1-24-21(16-23-22(24)20-10-6-3-7-11-20)19-14-12-18(13-15-19)17-8-4-2-5-9-17;2*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)20-15-22-21(23-20)19-9-5-2-6-10-19;;/h2*3-11,13-16H,1-2H3;2-10,12-16H,1H3;2*1-9,11-16H;1-9,11-15H;;/q6*-1;2*+3
InChIKeyZAXUKERVAFRCKI-UHFFFAOYSA-N
MW2049.12 g/mol
LogP31.95
Rot. Bonds18

About bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);1-methyl-2-phenyl-5-(4-phenylphenyl)imidazole;2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);bis(rhodium(3+))

bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);1-methyl-2-phenyl-5-(4-phenylphenyl)imidazole;2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);bis(rhodium(3+)) (PubChem CID 158048449) has the molecular formula C131H99N11ORh2 and a molecular weight of 2049.12 g/mol. Its IUPAC name is bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);1-methyl-2-phenyl-5-(4-phenylphenyl)imidazole;2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);bis(rhodium(3+)).

Molecular Properties

Compound Namebis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);1-methyl-2-phenyl-5-(4-phenylphenyl)imidazole;2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);bis(rhodium(3+))
PubChem CID158048449
Molecular FormulaC131H99N11ORh2
Molecular Weight2049.12 g/mol
Exact Mass2047.61
IUPAC Namebis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);1-methyl-2-phenyl-5-(4-phenylphenyl)imidazole;2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);bis(rhodium(3+))
SMILESCc1nn(-c2[c-]cccc2)c(C)c1-c1ccc(-c2ccccc2)cc1.Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc(-c2ccccc2)cc1.Cn1c(-c2ccc(-c3ccccc3)cc2)cnc1-c1[c-]cccc1.[Rh+3].[Rh+3].[c-]1ccccc1-c1ncc(-c2ccc(-c3ccccc3)cc2)o1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1
InChIInChI=1S/2C23H19N2.C22H17N2.2C21H15N2.C21H14NO.2Rh/c2*1-17-23(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;1-24-21(16-23-22(24)20-10-6-3-7-11-20)19-14-12-18(13-15-19)17-8-4-2-5-9-17;2*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)20-15-22-21(23-20)19-9-5-2-6-10-19;;/h2*3-11,13-16H,1-2H3;2-10,12-16H,1H3;2*1-9,11-16H;1-9,11-15H;;/q6*-1;2*+3
InChIKeyZAXUKERVAFRCKI-UHFFFAOYSA-N
XLogP31.95
TPSA115.13 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms145
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002049.12
LogP ≤ 531.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);1-methyl-2-phenyl-5-(4-phenylphenyl)imidazole;2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);bis(rhodium(3+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);1-methyl-2-phenyl-5-(4-phenylphenyl)imidazole;2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);bis(rhodium(3+))?
The IUPAC name of bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);1-methyl-2-phenyl-5-(4-phenylphenyl)imidazole;2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);bis(rhodium(3+)) (CID 158048449) is bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);1-methyl-2-phenyl-5-(4-phenylphenyl)imidazole;2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);bis(rhodium(3+)).
What is the SMILES notation for bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);1-methyl-2-phenyl-5-(4-phenylphenyl)imidazole;2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);bis(rhodium(3+))?
The canonical SMILES for bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);1-methyl-2-phenyl-5-(4-phenylphenyl)imidazole;2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);bis(rhodium(3+)) is Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc(-c2ccccc2)cc1.Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc(-c2ccccc2)cc1.Cn1c(-c2ccc(-c3ccccc3)cc2)cnc1-c1[c-]cccc1.[Rh+3].[Rh+3].[c-]1ccccc1-c1ncc(-c2ccc(-c3ccccc3)cc2)o1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.
What is the InChIKey of bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);1-methyl-2-phenyl-5-(4-phenylphenyl)imidazole;2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);bis(rhodium(3+))?
The InChIKey is ZAXUKERVAFRCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H19N2.C22H17N2.2C21H15N2.C21H14NO.2Rh/c2*1-17-23(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;1-24-21(16-23-22(24)20-10-6-3-7-11-20)19-14-12-18(13-15-19)17-8-4-2-5-9-17;2*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)20-15-22-21(23-20)19-9-5-2-6-10-19;;/h2*3-11,13-16H,1-2H3;2-10,12-16H,1H3;2*1-9,11-16H;1-9,11-15H;;/q6*-1;2*+3.
What are the key properties of bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);1-methyl-2-phenyl-5-(4-phenylphenyl)imidazole;2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);bis(rhodium(3+))?
bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);1-methyl-2-phenyl-5-(4-phenylphenyl)imidazole;2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);bis(rhodium(3+)) has a molecular weight of 2049.12 g/mol, XLogP of 31.95, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);1-methyl-2-phenyl-5-(4-phenylphenyl)imidazole;2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);bis(rhodium(3+)) is sourced from PubChem (CID 158048449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).