3-methyl-1-phenyl-4-(4-phenylphenyl)triazol-1-ium;3-phenyl-5-(4-phenylphenyl)-1,2,4-oxadiazole;3-phenyl-5-(4-phenylphenyl)-1,2,4-thiadiazole;3-phenyl-5-(4-phenylphenyl)-2H-1,3-thiazol-2-ide;tris(rhodium);rhodium(2+)

C82H58N8ORh4S2-2 — CID 159619441

IUPAC3-methyl-1-phenyl-4-(4-phenylphenyl)triazol-1-ium;3-phenyl-5-(4-phenylphenyl)-1,2,4-oxadiazole;3-phenyl-5-(4-phenylphenyl)-1,2,4-thiadiazole;3-phenyl-5-(4-phenylphenyl)-2H-1,3-thiazol-2-ide;tris(rhodium);rhodium(2+)
SMILESCn1n[n+](-c2[c-]cccc2)cc1-c1ccc(-c2ccccc2)cc1.[Rh+2].[Rh].[Rh].[Rh].[c-]1ccccc1-c1noc(-c2ccc(-c3ccccc3)cc2)n1.[c-]1ccccc1-c1nsc(-c2ccc(-c3ccccc3)cc2)n1.[c-]1ccccc1N1C=C(c2ccc(-c3ccccc3)cc2)S[CH-]1
InChIInChI=1S/C21H17N3.C21H15NS.C20H13N2O.C20H13N2S.4Rh/c1-23-21(16-24(22-23)20-10-6-3-7-11-20)19-14-12-18(13-15-19)17-8-4-2-5-9-17;1-3-7-17(8-4-1)18-11-13-19(14-12-18)21-15-22(16-23-21)20-9-5-2-6-10-20;2*1-3-7-15(8-4-1)16-11-13-18(14-12-16)20-21-19(22-23-20)17-9-5-2-6-10-17;;;;/h2-10,12-16H,1H3;1-9,11-16H;2*1-9,11-14H;;;;/q;-2;2*-1;;;;+2
InChIKeyYXRILGZWLDVNIH-UHFFFAOYSA-N
MW1647.18 g/mol
LogP19.86
Rot. Bonds12

About 3-methyl-1-phenyl-4-(4-phenylphenyl)triazol-1-ium;3-phenyl-5-(4-phenylphenyl)-1,2,4-oxadiazole;3-phenyl-5-(4-phenylphenyl)-1,2,4-thiadiazole;3-phenyl-5-(4-phenylphenyl)-2H-1,3-thiazol-2-ide;tris(rhodium);rhodium(2+)

3-methyl-1-phenyl-4-(4-phenylphenyl)triazol-1-ium;3-phenyl-5-(4-phenylphenyl)-1,2,4-oxadiazole;3-phenyl-5-(4-phenylphenyl)-1,2,4-thiadiazole;3-phenyl-5-(4-phenylphenyl)-2H-1,3-thiazol-2-ide;tris(rhodium);rhodium(2+) (PubChem CID 159619441) has the molecular formula C82H58N8ORh4S2-2 and a molecular weight of 1647.18 g/mol. Its IUPAC name is 3-methyl-1-phenyl-4-(4-phenylphenyl)triazol-1-ium;3-phenyl-5-(4-phenylphenyl)-1,2,4-oxadiazole;3-phenyl-5-(4-phenylphenyl)-1,2,4-thiadiazole;3-phenyl-5-(4-phenylphenyl)-2H-1,3-thiazol-2-ide;tris(rhodium);rhodium(2+).

Molecular Properties

Compound Name3-methyl-1-phenyl-4-(4-phenylphenyl)triazol-1-ium;3-phenyl-5-(4-phenylphenyl)-1,2,4-oxadiazole;3-phenyl-5-(4-phenylphenyl)-1,2,4-thiadiazole;3-phenyl-5-(4-phenylphenyl)-2H-1,3-thiazol-2-ide;tris(rhodium);rhodium(2+)
PubChem CID159619441
Molecular FormulaC82H58N8ORh4S2-2
Molecular Weight1647.18 g/mol
Exact Mass1646.04
IUPAC Name3-methyl-1-phenyl-4-(4-phenylphenyl)triazol-1-ium;3-phenyl-5-(4-phenylphenyl)-1,2,4-oxadiazole;3-phenyl-5-(4-phenylphenyl)-1,2,4-thiadiazole;3-phenyl-5-(4-phenylphenyl)-2H-1,3-thiazol-2-ide;tris(rhodium);rhodium(2+)
SMILESCn1n[n+](-c2[c-]cccc2)cc1-c1ccc(-c2ccccc2)cc1.[Rh+2].[Rh].[Rh].[Rh].[c-]1ccccc1-c1noc(-c2ccc(-c3ccccc3)cc2)n1.[c-]1ccccc1-c1nsc(-c2ccc(-c3ccccc3)cc2)n1.[c-]1ccccc1N1C=C(c2ccc(-c3ccccc3)cc2)S[CH-]1
InChIInChI=1S/C21H17N3.C21H15NS.C20H13N2O.C20H13N2S.4Rh/c1-23-21(16-24(22-23)20-10-6-3-7-11-20)19-14-12-18(13-15-19)17-8-4-2-5-9-17;1-3-7-17(8-4-1)18-11-13-19(14-12-18)21-15-22(16-23-21)20-9-5-2-6-10-20;2*1-3-7-15(8-4-1)16-11-13-18(14-12-16)20-21-19(22-23-20)17-9-5-2-6-10-17;;;;/h2-10,12-16H,1H3;1-9,11-16H;2*1-9,11-14H;;;;/q;-2;2*-1;;;;+2
InChIKeyYXRILGZWLDVNIH-UHFFFAOYSA-N
XLogP19.86
TPSA89.64 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms97
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001647.18
LogP ≤ 519.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 3-methyl-1-phenyl-4-(4-phenylphenyl)triazol-1-ium;3-phenyl-5-(4-phenylphenyl)-1,2,4-oxadiazole;3-phenyl-5-(4-phenylphenyl)-1,2,4-thiadiazole;3-phenyl-5-(4-phenylphenyl)-2H-1,3-thiazol-2-ide;tris(rhodium);rhodium(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-4-(4-phenylphenyl)triazol-1-ium;3-phenyl-5-(4-phenylphenyl)-1,2,4-oxadiazole;3-phenyl-5-(4-phenylphenyl)-1,2,4-thiadiazole;3-phenyl-5-(4-phenylphenyl)-2H-1,3-thiazol-2-ide;tris(rhodium);rhodium(2+)?
The IUPAC name of 3-methyl-1-phenyl-4-(4-phenylphenyl)triazol-1-ium;3-phenyl-5-(4-phenylphenyl)-1,2,4-oxadiazole;3-phenyl-5-(4-phenylphenyl)-1,2,4-thiadiazole;3-phenyl-5-(4-phenylphenyl)-2H-1,3-thiazol-2-ide;tris(rhodium);rhodium(2+) (CID 159619441) is 3-methyl-1-phenyl-4-(4-phenylphenyl)triazol-1-ium;3-phenyl-5-(4-phenylphenyl)-1,2,4-oxadiazole;3-phenyl-5-(4-phenylphenyl)-1,2,4-thiadiazole;3-phenyl-5-(4-phenylphenyl)-2H-1,3-thiazol-2-ide;tris(rhodium);rhodium(2+).
What is the SMILES notation for 3-methyl-1-phenyl-4-(4-phenylphenyl)triazol-1-ium;3-phenyl-5-(4-phenylphenyl)-1,2,4-oxadiazole;3-phenyl-5-(4-phenylphenyl)-1,2,4-thiadiazole;3-phenyl-5-(4-phenylphenyl)-2H-1,3-thiazol-2-ide;tris(rhodium);rhodium(2+)?
The canonical SMILES for 3-methyl-1-phenyl-4-(4-phenylphenyl)triazol-1-ium;3-phenyl-5-(4-phenylphenyl)-1,2,4-oxadiazole;3-phenyl-5-(4-phenylphenyl)-1,2,4-thiadiazole;3-phenyl-5-(4-phenylphenyl)-2H-1,3-thiazol-2-ide;tris(rhodium);rhodium(2+) is Cn1n[n+](-c2[c-]cccc2)cc1-c1ccc(-c2ccccc2)cc1.[Rh+2].[Rh].[Rh].[Rh].[c-]1ccccc1-c1noc(-c2ccc(-c3ccccc3)cc2)n1.[c-]1ccccc1-c1nsc(-c2ccc(-c3ccccc3)cc2)n1.[c-]1ccccc1N1C=C(c2ccc(-c3ccccc3)cc2)S[CH-]1.
What is the InChIKey of 3-methyl-1-phenyl-4-(4-phenylphenyl)triazol-1-ium;3-phenyl-5-(4-phenylphenyl)-1,2,4-oxadiazole;3-phenyl-5-(4-phenylphenyl)-1,2,4-thiadiazole;3-phenyl-5-(4-phenylphenyl)-2H-1,3-thiazol-2-ide;tris(rhodium);rhodium(2+)?
The InChIKey is YXRILGZWLDVNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3.C21H15NS.C20H13N2O.C20H13N2S.4Rh/c1-23-21(16-24(22-23)20-10-6-3-7-11-20)19-14-12-18(13-15-19)17-8-4-2-5-9-17;1-3-7-17(8-4-1)18-11-13-19(14-12-18)21-15-22(16-23-21)20-9-5-2-6-10-20;2*1-3-7-15(8-4-1)16-11-13-18(14-12-16)20-21-19(22-23-20)17-9-5-2-6-10-17;;;;/h2-10,12-16H,1H3;1-9,11-16H;2*1-9,11-14H;;;;/q;-2;2*-1;;;;+2.
What are the key properties of 3-methyl-1-phenyl-4-(4-phenylphenyl)triazol-1-ium;3-phenyl-5-(4-phenylphenyl)-1,2,4-oxadiazole;3-phenyl-5-(4-phenylphenyl)-1,2,4-thiadiazole;3-phenyl-5-(4-phenylphenyl)-2H-1,3-thiazol-2-ide;tris(rhodium);rhodium(2+)?
3-methyl-1-phenyl-4-(4-phenylphenyl)triazol-1-ium;3-phenyl-5-(4-phenylphenyl)-1,2,4-oxadiazole;3-phenyl-5-(4-phenylphenyl)-1,2,4-thiadiazole;3-phenyl-5-(4-phenylphenyl)-2H-1,3-thiazol-2-ide;tris(rhodium);rhodium(2+) has a molecular weight of 1647.18 g/mol, XLogP of 19.86, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-4-(4-phenylphenyl)triazol-1-ium;3-phenyl-5-(4-phenylphenyl)-1,2,4-oxadiazole;3-phenyl-5-(4-phenylphenyl)-1,2,4-thiadiazole;3-phenyl-5-(4-phenylphenyl)-2H-1,3-thiazol-2-ide;tris(rhodium);rhodium(2+) is sourced from PubChem (CID 159619441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).