[2-[(2,4-dimethylphenyl)diazenyl]-3,5-dimethylphenyl]-phenylmethanone

C23H22N2O — CID 72700948

IUPAC[2-[(2,4-dimethylphenyl)diazenyl]-3,5-dimethylphenyl]-phenylmethanone
SMILESCc1ccc(/N=N/c2c(C)cc(C)cc2C(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C23H22N2O/c1-15-10-11-21(17(3)12-15)24-25-22-18(4)13-16(2)14-20(22)23(26)19-8-6-5-7-9-19/h5-14H,1-4H3/b25-24+
InChIKeyUZUSTBSYEMGULK-OCOZRVBESA-N
MW342.44 g/mol
LogP6.57
Rot. Bonds4

About [2-[(2,4-dimethylphenyl)diazenyl]-3,5-dimethylphenyl]-phenylmethanone

[2-[(2,4-dimethylphenyl)diazenyl]-3,5-dimethylphenyl]-phenylmethanone (PubChem CID 72700948) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is [2-[(2,4-dimethylphenyl)diazenyl]-3,5-dimethylphenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-[(2,4-dimethylphenyl)diazenyl]-3,5-dimethylphenyl]-phenylmethanone
PubChem CID72700948
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name[2-[(2,4-dimethylphenyl)diazenyl]-3,5-dimethylphenyl]-phenylmethanone
SMILESCc1ccc(/N=N/c2c(C)cc(C)cc2C(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C23H22N2O/c1-15-10-11-21(17(3)12-15)24-25-22-18(4)13-16(2)14-20(22)23(26)19-8-6-5-7-9-19/h5-14H,1-4H3/b25-24+
InChIKeyUZUSTBSYEMGULK-OCOZRVBESA-N
XLogP6.57
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

(2-amino-3,5-dimethylphenyl)-phenylmethanone
CID 70126178
[3-(2,5-dimethylbenzoyl)phenyl]-phenylmethanone
CID 90191697
N-[7-[(2,4-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]benzamide
CID 135698143
(2-hydroxy-4-methyl-5-phenyldiazenylphenyl)-phenylmethanone
CID 3578467
2-benzoyl-5-methylbenzamide
CID 69123799
(5-methyl-2-propan-2-ylphenyl)-phenylmethanone
CID 617254
ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600
(2-tert-butyl-5-methylphenyl)-phenylmethanone
CID 58452150
(2-benzoyl-4,6-dimethylphenyl) benzoate
CID 141250028
(2-isothiocyanato-4-methylphenyl)-phenylmethanone
CID 18975079
[2-[(3-benzoyl-2,6-dihydroxyphenyl)diazenyl]-5-methylphenyl]methyl prop-2-enoate
CID 141455346
(2-iodo-4-methylphenyl)-phenylmethanone
CID 170986222

Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-dimethylphenyl)diazenyl]-3,5-dimethylphenyl]-phenylmethanone?
The IUPAC name of [2-[(2,4-dimethylphenyl)diazenyl]-3,5-dimethylphenyl]-phenylmethanone (CID 72700948) is [2-[(2,4-dimethylphenyl)diazenyl]-3,5-dimethylphenyl]-phenylmethanone.
What is the SMILES notation for [2-[(2,4-dimethylphenyl)diazenyl]-3,5-dimethylphenyl]-phenylmethanone?
The canonical SMILES for [2-[(2,4-dimethylphenyl)diazenyl]-3,5-dimethylphenyl]-phenylmethanone is Cc1ccc(/N=N/c2c(C)cc(C)cc2C(=O)c2ccccc2)c(C)c1.
What is the InChIKey of [2-[(2,4-dimethylphenyl)diazenyl]-3,5-dimethylphenyl]-phenylmethanone?
The InChIKey is UZUSTBSYEMGULK-OCOZRVBESA-N. The full InChI is InChI=1S/C23H22N2O/c1-15-10-11-21(17(3)12-15)24-25-22-18(4)13-16(2)14-20(22)23(26)19-8-6-5-7-9-19/h5-14H,1-4H3/b25-24+.
What are the key properties of [2-[(2,4-dimethylphenyl)diazenyl]-3,5-dimethylphenyl]-phenylmethanone?
[2-[(2,4-dimethylphenyl)diazenyl]-3,5-dimethylphenyl]-phenylmethanone has a molecular weight of 342.44 g/mol, XLogP of 6.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-dimethylphenyl)diazenyl]-3,5-dimethylphenyl]-phenylmethanone is sourced from PubChem (CID 72700948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).