4-(dibutylamino)-2,6-diphenylphenol

C26H31NO — CID 22095865

IUPAC4-(dibutylamino)-2,6-diphenylphenol
SMILESCCCCN(CCCC)c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1
InChIInChI=1S/C26H31NO/c1-3-5-17-27(18-6-4-2)23-19-24(21-13-9-7-10-14-21)26(28)25(20-23)22-15-11-8-12-16-22/h7-16,19-20,28H,3-6,17-18H2,1-2H3
InChIKeyDUEYWAKXHSNVMM-UHFFFAOYSA-N
MW373.54 g/mol
LogP7.13
Rot. Bonds9

About 4-(dibutylamino)-2,6-diphenylphenol

4-(dibutylamino)-2,6-diphenylphenol (PubChem CID 22095865) has the molecular formula C26H31NO and a molecular weight of 373.54 g/mol. Its IUPAC name is 4-(dibutylamino)-2,6-diphenylphenol.

Molecular Properties

Compound Name4-(dibutylamino)-2,6-diphenylphenol
PubChem CID22095865
Molecular FormulaC26H31NO
Molecular Weight373.54 g/mol
Exact Mass373.24
IUPAC Name4-(dibutylamino)-2,6-diphenylphenol
SMILESCCCCN(CCCC)c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1
InChIInChI=1S/C26H31NO/c1-3-5-17-27(18-6-4-2)23-19-24(21-13-9-7-10-14-21)26(28)25(20-23)22-15-11-8-12-16-22/h7-16,19-20,28H,3-6,17-18H2,1-2H3
InChIKeyDUEYWAKXHSNVMM-UHFFFAOYSA-N
XLogP7.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.54
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dibutylaniline;perchloric acid
CID 71443116
4-butylsulfanyl-2,6-diphenylphenol
CID 66619517
4-[1-(4-hydroxy-3,5-diphenylphenyl)octyl]-2,6-diphenylphenol
CID 139825043
2-methyl-4-nonyl-6-phenylphenol
CID 174342860
N,N-dibutyl-4-[21-[4-(dibutylamino)phenyl]-2,13-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaen-10-yl]aniline
CID 102323271
4-[(N-butylanilino)methyl]-2,6-dimethylphenol
CID 82965621
2-butyl-6-phenylbenzene-1,4-diol
CID 23109144
N,N-di(nonyl)aniline
CID 22637953
N-heptyl-N-pentylaniline
CID 154378615
3-(N-propylanilino)propan-1-ol
CID 101291000
3-(dibutylamino)cyclohepta-2,4,6-trien-1-one
CID 21321486
N,N-dibutylaniline;propane;prop-1-ene
CID 142114632

Frequently Asked Questions

What is the IUPAC name of 4-(dibutylamino)-2,6-diphenylphenol?
The IUPAC name of 4-(dibutylamino)-2,6-diphenylphenol (CID 22095865) is 4-(dibutylamino)-2,6-diphenylphenol.
What is the SMILES notation for 4-(dibutylamino)-2,6-diphenylphenol?
The canonical SMILES for 4-(dibutylamino)-2,6-diphenylphenol is CCCCN(CCCC)c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.
What is the InChIKey of 4-(dibutylamino)-2,6-diphenylphenol?
The InChIKey is DUEYWAKXHSNVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO/c1-3-5-17-27(18-6-4-2)23-19-24(21-13-9-7-10-14-21)26(28)25(20-23)22-15-11-8-12-16-22/h7-16,19-20,28H,3-6,17-18H2,1-2H3.
What are the key properties of 4-(dibutylamino)-2,6-diphenylphenol?
4-(dibutylamino)-2,6-diphenylphenol has a molecular weight of 373.54 g/mol, XLogP of 7.13, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibutylamino)-2,6-diphenylphenol is sourced from PubChem (CID 22095865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).