4-(2,6-dimethyl-4-phenylphenyl)-1-(2-methanidylphenyl)-5-methyltriazole;4-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-5-methyltriazole;5-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-1,3-oxazole;5-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-1,3-thiazole;tetrakis(rhodium)

C96H84N8ORh4S-4 — CID 158753478

IUPAC4-(2,6-dimethyl-4-phenylphenyl)-1-(2-methanidylphenyl)-5-methyltriazole;4-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-5-methyltriazole;5-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-1,3-oxazole;5-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-1,3-thiazole;tetrakis(rhodium)
SMILES[CH2-]c1ccccc1-c1ncc(-c2c(C)cc(-c3ccccc3)cc2C)o1.[CH2-]c1ccccc1-c1ncc(-c2c(C)cc(-c3ccccc3)cc2C)s1.[CH2-]c1ccccc1-n1nc(C)c(-c2c(C)cc(-c3ccccc3)cc2C)n1.[CH2-]c1ccccc1-n1nnc(-c2c(C)cc(-c3ccccc3)cc2C)c1C.[Rh].[Rh].[Rh].[Rh]
InChIInChI=1S/2C24H22N3.C24H20NO.C24H20NS.4Rh/c1-16-10-8-9-13-22(16)27-19(4)24(25-26-27)23-17(2)14-21(15-18(23)3)20-11-6-5-7-12-20;1-16-10-8-9-13-22(16)27-25-19(4)24(26-27)23-17(2)14-21(15-18(23)3)20-11-6-5-7-12-20;2*1-16-9-7-8-12-21(16)24-25-15-22(26-24)23-17(2)13-20(14-18(23)3)19-10-5-4-6-11-19;;;;/h2*5-15H,1H2,2-4H3;2*4-15H,1H2,2-3H3;;;;/q4*-1;;;;
InChIKeyCFRPAISFVWBAOZ-UHFFFAOYSA-N
MW1809.47 g/mol
LogP24.83
Rot. Bonds12

About 4-(2,6-dimethyl-4-phenylphenyl)-1-(2-methanidylphenyl)-5-methyltriazole;4-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-5-methyltriazole;5-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-1,3-oxazole;5-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-1,3-thiazole;tetrakis(rhodium)

4-(2,6-dimethyl-4-phenylphenyl)-1-(2-methanidylphenyl)-5-methyltriazole;4-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-5-methyltriazole;5-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-1,3-oxazole;5-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-1,3-thiazole;tetrakis(rhodium) (PubChem CID 158753478) has the molecular formula C96H84N8ORh4S-4 and a molecular weight of 1809.47 g/mol. Its IUPAC name is 4-(2,6-dimethyl-4-phenylphenyl)-1-(2-methanidylphenyl)-5-methyltriazole;4-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-5-methyltriazole;5-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-1,3-oxazole;5-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-1,3-thiazole;tetrakis(rhodium).

Molecular Properties

Compound Name4-(2,6-dimethyl-4-phenylphenyl)-1-(2-methanidylphenyl)-5-methyltriazole;4-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-5-methyltriazole;5-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-1,3-oxazole;5-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-1,3-thiazole;tetrakis(rhodium)
PubChem CID158753478
Molecular FormulaC96H84N8ORh4S-4
Molecular Weight1809.47 g/mol
Exact Mass1808.27
IUPAC Name4-(2,6-dimethyl-4-phenylphenyl)-1-(2-methanidylphenyl)-5-methyltriazole;4-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-5-methyltriazole;5-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-1,3-oxazole;5-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-1,3-thiazole;tetrakis(rhodium)
SMILES[CH2-]c1ccccc1-c1ncc(-c2c(C)cc(-c3ccccc3)cc2C)o1.[CH2-]c1ccccc1-c1ncc(-c2c(C)cc(-c3ccccc3)cc2C)s1.[CH2-]c1ccccc1-n1nc(C)c(-c2c(C)cc(-c3ccccc3)cc2C)n1.[CH2-]c1ccccc1-n1nnc(-c2c(C)cc(-c3ccccc3)cc2C)c1C.[Rh].[Rh].[Rh].[Rh]
InChIInChI=1S/2C24H22N3.C24H20NO.C24H20NS.4Rh/c1-16-10-8-9-13-22(16)27-19(4)24(25-26-27)23-17(2)14-21(15-18(23)3)20-11-6-5-7-12-20;1-16-10-8-9-13-22(16)27-25-19(4)24(26-27)23-17(2)14-21(15-18(23)3)20-11-6-5-7-12-20;2*1-16-9-7-8-12-21(16)24-25-15-22(26-24)23-17(2)13-20(14-18(23)3)19-10-5-4-6-11-19;;;;/h2*5-15H,1H2,2-4H3;2*4-15H,1H2,2-3H3;;;;/q4*-1;;;;
InChIKeyCFRPAISFVWBAOZ-UHFFFAOYSA-N
XLogP24.83
TPSA100.34 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms110
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001809.47
LogP ≤ 524.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-(2,6-dimethyl-4-phenylphenyl)-1-(2-methanidylphenyl)-5-methyltriazole;4-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-5-methyltriazole;5-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-1,3-oxazole;5-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-1,3-thiazole;tetrakis(rhodium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethyl-4-phenylphenyl)-1-(2-methanidylphenyl)-5-methyltriazole;4-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-5-methyltriazole;5-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-1,3-oxazole;5-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-1,3-thiazole;tetrakis(rhodium)?
The IUPAC name of 4-(2,6-dimethyl-4-phenylphenyl)-1-(2-methanidylphenyl)-5-methyltriazole;4-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-5-methyltriazole;5-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-1,3-oxazole;5-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-1,3-thiazole;tetrakis(rhodium) (CID 158753478) is 4-(2,6-dimethyl-4-phenylphenyl)-1-(2-methanidylphenyl)-5-methyltriazole;4-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-5-methyltriazole;5-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-1,3-oxazole;5-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-1,3-thiazole;tetrakis(rhodium).
What is the SMILES notation for 4-(2,6-dimethyl-4-phenylphenyl)-1-(2-methanidylphenyl)-5-methyltriazole;4-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-5-methyltriazole;5-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-1,3-oxazole;5-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-1,3-thiazole;tetrakis(rhodium)?
The canonical SMILES for 4-(2,6-dimethyl-4-phenylphenyl)-1-(2-methanidylphenyl)-5-methyltriazole;4-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-5-methyltriazole;5-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-1,3-oxazole;5-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-1,3-thiazole;tetrakis(rhodium) is [CH2-]c1ccccc1-c1ncc(-c2c(C)cc(-c3ccccc3)cc2C)o1.[CH2-]c1ccccc1-c1ncc(-c2c(C)cc(-c3ccccc3)cc2C)s1.[CH2-]c1ccccc1-n1nc(C)c(-c2c(C)cc(-c3ccccc3)cc2C)n1.[CH2-]c1ccccc1-n1nnc(-c2c(C)cc(-c3ccccc3)cc2C)c1C.[Rh].[Rh].[Rh].[Rh].
What is the InChIKey of 4-(2,6-dimethyl-4-phenylphenyl)-1-(2-methanidylphenyl)-5-methyltriazole;4-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-5-methyltriazole;5-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-1,3-oxazole;5-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-1,3-thiazole;tetrakis(rhodium)?
The InChIKey is CFRPAISFVWBAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H22N3.C24H20NO.C24H20NS.4Rh/c1-16-10-8-9-13-22(16)27-19(4)24(25-26-27)23-17(2)14-21(15-18(23)3)20-11-6-5-7-12-20;1-16-10-8-9-13-22(16)27-25-19(4)24(26-27)23-17(2)14-21(15-18(23)3)20-11-6-5-7-12-20;2*1-16-9-7-8-12-21(16)24-25-15-22(26-24)23-17(2)13-20(14-18(23)3)19-10-5-4-6-11-19;;;;/h2*5-15H,1H2,2-4H3;2*4-15H,1H2,2-3H3;;;;/q4*-1;;;;.
What are the key properties of 4-(2,6-dimethyl-4-phenylphenyl)-1-(2-methanidylphenyl)-5-methyltriazole;4-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-5-methyltriazole;5-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-1,3-oxazole;5-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-1,3-thiazole;tetrakis(rhodium)?
4-(2,6-dimethyl-4-phenylphenyl)-1-(2-methanidylphenyl)-5-methyltriazole;4-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-5-methyltriazole;5-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-1,3-oxazole;5-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-1,3-thiazole;tetrakis(rhodium) has a molecular weight of 1809.47 g/mol, XLogP of 24.83, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethyl-4-phenylphenyl)-1-(2-methanidylphenyl)-5-methyltriazole;4-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-5-methyltriazole;5-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-1,3-oxazole;5-(2,6-dimethyl-4-phenylphenyl)-2-(2-methanidylphenyl)-1,3-thiazole;tetrakis(rhodium) is sourced from PubChem (CID 158753478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).