3,5-ditert-butyl-N-(2-chloro-4-tritylphenyl)-2,6-dihydroxybenzamide

C40H40ClNO3 — CID 174538499

IUPAC3,5-ditert-butyl-N-(2-chloro-4-tritylphenyl)-2,6-dihydroxybenzamide
SMILESCC(C)(C)c1cc(C(C)(C)C)c(O)c(C(=O)Nc2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2Cl)c1O
InChIInChI=1S/C40H40ClNO3/c1-38(2,3)30-25-31(39(4,5)6)36(44)34(35(30)43)37(45)42-33-23-22-29(24-32(33)41)40(26-16-10-7-11-17-26,27-18-12-8-13-19-27)28-20-14-9-15-21-28/h7-25,43-44H,1-6H3,(H,42,45)
InChIKeyFGYOFUDCJYCNCN-UHFFFAOYSA-N
MW618.22 g/mol
LogP9.98
Rot. Bonds6

About 3,5-ditert-butyl-N-(2-chloro-4-tritylphenyl)-2,6-dihydroxybenzamide

3,5-ditert-butyl-N-(2-chloro-4-tritylphenyl)-2,6-dihydroxybenzamide (PubChem CID 174538499) has the molecular formula C40H40ClNO3 and a molecular weight of 618.22 g/mol. Its IUPAC name is 3,5-ditert-butyl-N-(2-chloro-4-tritylphenyl)-2,6-dihydroxybenzamide.

Molecular Properties

Compound Name3,5-ditert-butyl-N-(2-chloro-4-tritylphenyl)-2,6-dihydroxybenzamide
PubChem CID174538499
Molecular FormulaC40H40ClNO3
Molecular Weight618.22 g/mol
Exact Mass617.27
IUPAC Name3,5-ditert-butyl-N-(2-chloro-4-tritylphenyl)-2,6-dihydroxybenzamide
SMILESCC(C)(C)c1cc(C(C)(C)C)c(O)c(C(=O)Nc2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2Cl)c1O
InChIInChI=1S/C40H40ClNO3/c1-38(2,3)30-25-31(39(4,5)6)36(44)34(35(30)43)37(45)42-33-23-22-29(24-32(33)41)40(26-16-10-7-11-17-26,27-18-12-8-13-19-27)28-20-14-9-15-21-28/h7-25,43-44H,1-6H3,(H,42,45)
InChIKeyFGYOFUDCJYCNCN-UHFFFAOYSA-N
XLogP9.98
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.22
LogP ≤ 59.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 3,5-ditert-butyl-N-(2-chloro-4-tritylphenyl)-2,6-dihydroxybenzamide 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

3,5-ditert-butyl-N-(2-chloro-4-tritylphenyl)-2-hydroxybenzamide
CID 175256591
3-tert-butyl-5-chloro-N-(2-chloro-4-methylphenyl)-2-hydroxy-6-methylbenzamide
CID 118641906
3-butyl-N-(2-chloro-4-tritylphenyl)-2-hydroxy-6-methyl-5-(2-methylpropylsulfinyl)benzamide
CID 174552844
3-tert-butyl-N-[2-chloro-4-(trifluoromethylsulfinyl)phenyl]-5-fluoro-2-hydroxy-6-methylbenzamide
CID 162581890
5-benzylsulfinyl-3-tert-butyl-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-2-hydroxy-6-methylbenzamide
CID 57432688
3-tert-butyl-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-5-(dimethylsulfamoyl)-2-hydroxy-6-methylbenzamide
CID 11962803
5-tert-butyl-3-[[2-chloro-4-(trifluoromethylsulfonyl)phenyl]carbamoyl]-4-hydroxy-2-methylbenzenesulfinate
CID 59191196
4-tert-butyl-N-(2,4-dichlorophenyl)benzamide
CID 773784
N-(3,5-ditert-butyl-2,6-dihydroxyphenyl)benzamide;N-(2,6-dihydroxyphenyl)benzamide
CID 158026912
methyl 3-chloro-4-[(3,5-ditert-butyl-2-hydroxybenzoyl)amino]benzoate
CID 86274849
3-tert-butyl-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-2-hydroxy-6-methyl-5-(4-methylsulfonylphenyl)benzamide
CID 11962318
N-(4-tert-butyl-2-chlorophenyl)-2,2,2-trichloroacetamide
CID 2781894

Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-N-(2-chloro-4-tritylphenyl)-2,6-dihydroxybenzamide?
The IUPAC name of 3,5-ditert-butyl-N-(2-chloro-4-tritylphenyl)-2,6-dihydroxybenzamide (CID 174538499) is 3,5-ditert-butyl-N-(2-chloro-4-tritylphenyl)-2,6-dihydroxybenzamide.
What is the SMILES notation for 3,5-ditert-butyl-N-(2-chloro-4-tritylphenyl)-2,6-dihydroxybenzamide?
The canonical SMILES for 3,5-ditert-butyl-N-(2-chloro-4-tritylphenyl)-2,6-dihydroxybenzamide is CC(C)(C)c1cc(C(C)(C)C)c(O)c(C(=O)Nc2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2Cl)c1O.
What is the InChIKey of 3,5-ditert-butyl-N-(2-chloro-4-tritylphenyl)-2,6-dihydroxybenzamide?
The InChIKey is FGYOFUDCJYCNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H40ClNO3/c1-38(2,3)30-25-31(39(4,5)6)36(44)34(35(30)43)37(45)42-33-23-22-29(24-32(33)41)40(26-16-10-7-11-17-26,27-18-12-8-13-19-27)28-20-14-9-15-21-28/h7-25,43-44H,1-6H3,(H,42,45).
What are the key properties of 3,5-ditert-butyl-N-(2-chloro-4-tritylphenyl)-2,6-dihydroxybenzamide?
3,5-ditert-butyl-N-(2-chloro-4-tritylphenyl)-2,6-dihydroxybenzamide has a molecular weight of 618.22 g/mol, XLogP of 9.98, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-N-(2-chloro-4-tritylphenyl)-2,6-dihydroxybenzamide is sourced from PubChem (CID 174538499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).