4-(4-anilinoanilino)-2,6-ditert-butylphenol

C26H32N2O — CID 14649918

IUPAC4-(4-anilinoanilino)-2,6-ditert-butylphenol
SMILESCC(C)(C)c1cc(Nc2ccc(Nc3ccccc3)cc2)cc(C(C)(C)C)c1O
InChIInChI=1S/C26H32N2O/c1-25(2,3)22-16-21(17-23(24(22)29)26(4,5)6)28-20-14-12-19(13-15-20)27-18-10-8-7-9-11-18/h7-17,27-29H,1-6H3
InChIKeyJYBKSEFSFBVMBH-UHFFFAOYSA-N
MW388.56 g/mol
LogP7.47
Rot. Bonds4

About 4-(4-anilinoanilino)-2,6-ditert-butylphenol

4-(4-anilinoanilino)-2,6-ditert-butylphenol (PubChem CID 14649918) has the molecular formula C26H32N2O and a molecular weight of 388.56 g/mol. Its IUPAC name is 4-(4-anilinoanilino)-2,6-ditert-butylphenol.

Molecular Properties

Compound Name4-(4-anilinoanilino)-2,6-ditert-butylphenol
PubChem CID14649918
Molecular FormulaC26H32N2O
Molecular Weight388.56 g/mol
Exact Mass388.25
IUPAC Name4-(4-anilinoanilino)-2,6-ditert-butylphenol
SMILESCC(C)(C)c1cc(Nc2ccc(Nc3ccccc3)cc2)cc(C(C)(C)C)c1O
InChIInChI=1S/C26H32N2O/c1-25(2,3)22-16-21(17-23(24(22)29)26(4,5)6)28-20-14-12-19(13-15-20)27-18-10-8-7-9-11-18/h7-17,27-29H,1-6H3
InChIKeyJYBKSEFSFBVMBH-UHFFFAOYSA-N
XLogP7.47
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.56
LogP ≤ 57.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-ditert-butyl-4-(pyridin-4-ylamino)phenol
CID 140987666
4-[(N-(4-anilinophenyl)anilino)methylsulfanyl]-2,6-ditert-butylphenol
CID 118563277
2-(3,5-ditert-butyl-4-hydroxyanilino)benzonitrile
CID 22401580
4-anilino-2,6-dimethylphenol
CID 25129480
benzene;2,6-ditert-butyl-4-phenylphenol
CID 175516792
3-anilino-N-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]benzamide
CID 3506052
4-N-(2-tert-butyl-4-methylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 167009511
2-(5-anilinobenzotriazol-2-yl)-6-tert-butyl-4-methylphenol
CID 155248900
2,6-ditert-butyl-4-[1-[4-(4-methylanilino)phenyl]ethyl]phenol
CID 20764849
4-[(E)-N-anilino-C-phenylcarbonimidoyl]-2,6-ditert-butylphenol
CID 135598899
2,6-ditert-butyl-4-[(6-ethylsulfanyl-3-pyridinyl)amino]phenol
CID 14052810
1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-phenylthiourea
CID 15620960

Frequently Asked Questions

What is the IUPAC name of 4-(4-anilinoanilino)-2,6-ditert-butylphenol?
The IUPAC name of 4-(4-anilinoanilino)-2,6-ditert-butylphenol (CID 14649918) is 4-(4-anilinoanilino)-2,6-ditert-butylphenol.
What is the SMILES notation for 4-(4-anilinoanilino)-2,6-ditert-butylphenol?
The canonical SMILES for 4-(4-anilinoanilino)-2,6-ditert-butylphenol is CC(C)(C)c1cc(Nc2ccc(Nc3ccccc3)cc2)cc(C(C)(C)C)c1O.
What is the InChIKey of 4-(4-anilinoanilino)-2,6-ditert-butylphenol?
The InChIKey is JYBKSEFSFBVMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O/c1-25(2,3)22-16-21(17-23(24(22)29)26(4,5)6)28-20-14-12-19(13-15-20)27-18-10-8-7-9-11-18/h7-17,27-29H,1-6H3.
What are the key properties of 4-(4-anilinoanilino)-2,6-ditert-butylphenol?
4-(4-anilinoanilino)-2,6-ditert-butylphenol has a molecular weight of 388.56 g/mol, XLogP of 7.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-anilinoanilino)-2,6-ditert-butylphenol is sourced from PubChem (CID 14649918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).