3-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-4-methyl-1,2,4-triazole;2-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-1,3,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-(2-methanidylphenyl)-1,2-oxazole;2-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-1,3,4-thiadiazole;tetrakis(rhodium)

C94H80N8O2Rh4S-4 — CID 158715574

IUPAC3-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-4-methyl-1,2,4-triazole;2-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-1,3,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-(2-methanidylphenyl)-1,2-oxazole;2-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-1,3,4-thiadiazole;tetrakis(rhodium)
SMILES[CH2-]c1ccccc1-c1cc(-c2c(C)cc(-c3ccccc3)cc2C)on1.[CH2-]c1ccccc1-c1nnc(-c2c(C)cc(-c3ccccc3)cc2C)n1C.[CH2-]c1ccccc1-c1nnc(-c2c(C)cc(-c3ccccc3)cc2C)o1.[CH2-]c1ccccc1-c1nnc(-c2c(C)cc(-c3ccccc3)cc2C)s1.[Rh].[Rh].[Rh].[Rh]
InChIInChI=1S/C24H22N3.C24H20NO.C23H19N2O.C23H19N2S.4Rh/c1-16-10-8-9-13-21(16)23-25-26-24(27(23)4)22-17(2)14-20(15-18(22)3)19-11-6-5-7-12-19;1-16-9-7-8-12-21(16)22-15-23(26-25-22)24-17(2)13-20(14-18(24)3)19-10-5-4-6-11-19;2*1-15-9-7-8-12-20(15)22-24-25-23(26-22)21-16(2)13-19(14-17(21)3)18-10-5-4-6-11-18;;;;/h5-15H,1H2,2-4H3;4-15H,1H2,2-3H3;2*4-14H,1H2,2-3H3;;;;/q4*-1;;;;
InChIKeyGNYRYPVSZBRSAD-UHFFFAOYSA-N
MW1797.42 g/mol
LogP24.29
Rot. Bonds12

About 3-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-4-methyl-1,2,4-triazole;2-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-1,3,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-(2-methanidylphenyl)-1,2-oxazole;2-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-1,3,4-thiadiazole;tetrakis(rhodium)

3-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-4-methyl-1,2,4-triazole;2-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-1,3,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-(2-methanidylphenyl)-1,2-oxazole;2-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-1,3,4-thiadiazole;tetrakis(rhodium) (PubChem CID 158715574) has the molecular formula C94H80N8O2Rh4S-4 and a molecular weight of 1797.42 g/mol. Its IUPAC name is 3-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-4-methyl-1,2,4-triazole;2-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-1,3,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-(2-methanidylphenyl)-1,2-oxazole;2-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-1,3,4-thiadiazole;tetrakis(rhodium).

Molecular Properties

Compound Name3-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-4-methyl-1,2,4-triazole;2-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-1,3,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-(2-methanidylphenyl)-1,2-oxazole;2-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-1,3,4-thiadiazole;tetrakis(rhodium)
PubChem CID158715574
Molecular FormulaC94H80N8O2Rh4S-4
Molecular Weight1797.42 g/mol
Exact Mass1796.24
IUPAC Name3-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-4-methyl-1,2,4-triazole;2-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-1,3,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-(2-methanidylphenyl)-1,2-oxazole;2-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-1,3,4-thiadiazole;tetrakis(rhodium)
SMILES[CH2-]c1ccccc1-c1cc(-c2c(C)cc(-c3ccccc3)cc2C)on1.[CH2-]c1ccccc1-c1nnc(-c2c(C)cc(-c3ccccc3)cc2C)n1C.[CH2-]c1ccccc1-c1nnc(-c2c(C)cc(-c3ccccc3)cc2C)o1.[CH2-]c1ccccc1-c1nnc(-c2c(C)cc(-c3ccccc3)cc2C)s1.[Rh].[Rh].[Rh].[Rh]
InChIInChI=1S/C24H22N3.C24H20NO.C23H19N2O.C23H19N2S.4Rh/c1-16-10-8-9-13-21(16)23-25-26-24(27(23)4)22-17(2)14-20(15-18(22)3)19-11-6-5-7-12-19;1-16-9-7-8-12-21(16)22-15-23(26-25-22)24-17(2)13-20(14-18(24)3)19-10-5-4-6-11-19;2*1-15-9-7-8-12-20(15)22-24-25-23(26-22)21-16(2)13-19(14-17(21)3)18-10-5-4-6-11-18;;;;/h5-15H,1H2,2-4H3;4-15H,1H2,2-3H3;2*4-14H,1H2,2-3H3;;;;/q4*-1;;;;
InChIKeyGNYRYPVSZBRSAD-UHFFFAOYSA-N
XLogP24.29
TPSA121.44 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms109
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001797.42
LogP ≤ 524.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 3-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-4-methyl-1,2,4-triazole;2-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-1,3,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-(2-methanidylphenyl)-1,2-oxazole;2-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-1,3,4-thiadiazole;tetrakis(rhodium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-4-methyl-1,2,4-triazole;2-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-1,3,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-(2-methanidylphenyl)-1,2-oxazole;2-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-1,3,4-thiadiazole;tetrakis(rhodium)?
The IUPAC name of 3-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-4-methyl-1,2,4-triazole;2-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-1,3,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-(2-methanidylphenyl)-1,2-oxazole;2-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-1,3,4-thiadiazole;tetrakis(rhodium) (CID 158715574) is 3-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-4-methyl-1,2,4-triazole;2-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-1,3,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-(2-methanidylphenyl)-1,2-oxazole;2-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-1,3,4-thiadiazole;tetrakis(rhodium).
What is the SMILES notation for 3-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-4-methyl-1,2,4-triazole;2-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-1,3,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-(2-methanidylphenyl)-1,2-oxazole;2-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-1,3,4-thiadiazole;tetrakis(rhodium)?
The canonical SMILES for 3-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-4-methyl-1,2,4-triazole;2-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-1,3,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-(2-methanidylphenyl)-1,2-oxazole;2-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-1,3,4-thiadiazole;tetrakis(rhodium) is [CH2-]c1ccccc1-c1cc(-c2c(C)cc(-c3ccccc3)cc2C)on1.[CH2-]c1ccccc1-c1nnc(-c2c(C)cc(-c3ccccc3)cc2C)n1C.[CH2-]c1ccccc1-c1nnc(-c2c(C)cc(-c3ccccc3)cc2C)o1.[CH2-]c1ccccc1-c1nnc(-c2c(C)cc(-c3ccccc3)cc2C)s1.[Rh].[Rh].[Rh].[Rh].
What is the InChIKey of 3-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-4-methyl-1,2,4-triazole;2-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-1,3,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-(2-methanidylphenyl)-1,2-oxazole;2-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-1,3,4-thiadiazole;tetrakis(rhodium)?
The InChIKey is GNYRYPVSZBRSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N3.C24H20NO.C23H19N2O.C23H19N2S.4Rh/c1-16-10-8-9-13-21(16)23-25-26-24(27(23)4)22-17(2)14-20(15-18(22)3)19-11-6-5-7-12-19;1-16-9-7-8-12-21(16)22-15-23(26-25-22)24-17(2)13-20(14-18(24)3)19-10-5-4-6-11-19;2*1-15-9-7-8-12-20(15)22-24-25-23(26-22)21-16(2)13-19(14-17(21)3)18-10-5-4-6-11-18;;;;/h5-15H,1H2,2-4H3;4-15H,1H2,2-3H3;2*4-14H,1H2,2-3H3;;;;/q4*-1;;;;.
What are the key properties of 3-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-4-methyl-1,2,4-triazole;2-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-1,3,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-(2-methanidylphenyl)-1,2-oxazole;2-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-1,3,4-thiadiazole;tetrakis(rhodium)?
3-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-4-methyl-1,2,4-triazole;2-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-1,3,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-(2-methanidylphenyl)-1,2-oxazole;2-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-1,3,4-thiadiazole;tetrakis(rhodium) has a molecular weight of 1797.42 g/mol, XLogP of 24.29, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-4-methyl-1,2,4-triazole;2-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-1,3,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-(2-methanidylphenyl)-1,2-oxazole;2-(2,6-dimethyl-4-phenylphenyl)-5-(2-methanidylphenyl)-1,3,4-thiadiazole;tetrakis(rhodium) is sourced from PubChem (CID 158715574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).