4-tert-butyl-N,N-diphenylaniline

C22H23N — CID 11312667

IUPAC4-tert-butyl-N,N-diphenylaniline
SMILESCC(C)(C)c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H23N/c1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-17H,1-3H3
InChIKeyQAOWDDALFFRROB-UHFFFAOYSA-N
MW301.43 g/mol
LogP6.45
Rot. Bonds3

About 4-tert-butyl-N,N-diphenylaniline

4-tert-butyl-N,N-diphenylaniline (PubChem CID 11312667) has the molecular formula C22H23N and a molecular weight of 301.43 g/mol. Its IUPAC name is 4-tert-butyl-N,N-diphenylaniline.

Molecular Properties

Compound Name4-tert-butyl-N,N-diphenylaniline
PubChem CID11312667
Molecular FormulaC22H23N
Molecular Weight301.43 g/mol
Exact Mass301.18
IUPAC Name4-tert-butyl-N,N-diphenylaniline
SMILESCC(C)(C)c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H23N/c1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-17H,1-3H3
InChIKeyQAOWDDALFFRROB-UHFFFAOYSA-N
XLogP6.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.43
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-tert-butylphenyl)-4-[(E)-3-[4-(N-(4-tert-butylphenyl)anilino)phenyl]but-2-en-2-yl]-N-phenylaniline
CID 157179618
4-N-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59221775
1-N,4-N-bis[4-(2-methylbutan-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 143918142
N,4-ditert-butyl-N-phenylaniline
CID 91172141
ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine
CID 91310242
1-N,3-N-bis(4-tert-butylphenyl)-1-N,3-N,5-tris(4-phenylphenyl)benzene-1,3-diamine
CID 90097412
1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 134368456
N-(4-tert-butylphenyl)-9,9,10,10-tetramethyl-N-phenylanthracen-2-amine
CID 167340397
N-(4-tert-butylphenyl)-4-methyl-N-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]aniline
CID 89067836
N,N-bis(4-tert-butylphenyl)-3-methylaniline
CID 139326638
4-[difluoro-[4-(N-phenylanilino)phenyl]methyl]-N,N-diphenylaniline
CID 126517232
3,4,5-tris(4-tert-butylphenyl)-2,6-bis[4-(N-phenylanilino)phenyl]benzonitrile
CID 122374370

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N,N-diphenylaniline?
The IUPAC name of 4-tert-butyl-N,N-diphenylaniline (CID 11312667) is 4-tert-butyl-N,N-diphenylaniline.
What is the SMILES notation for 4-tert-butyl-N,N-diphenylaniline?
The canonical SMILES for 4-tert-butyl-N,N-diphenylaniline is CC(C)(C)c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-tert-butyl-N,N-diphenylaniline?
The InChIKey is QAOWDDALFFRROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N/c1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-17H,1-3H3.
What are the key properties of 4-tert-butyl-N,N-diphenylaniline?
4-tert-butyl-N,N-diphenylaniline has a molecular weight of 301.43 g/mol, XLogP of 6.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N,N-diphenylaniline is sourced from PubChem (CID 11312667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).