4-tert-butyl-N-[(2Z)-2-tert-butylpenta-2,4-dienyl]-N-phenylaniline

C25H33N — CID 142315139

IUPAC4-tert-butyl-N-[(2Z)-2-tert-butylpenta-2,4-dienyl]-N-phenylaniline
SMILESC=C/C=C(\CN(c1ccccc1)c1ccc(C(C)(C)C)cc1)C(C)(C)C
InChIInChI=1S/C25H33N/c1-8-12-21(25(5,6)7)19-26(22-13-10-9-11-14-22)23-17-15-20(16-18-23)24(2,3)4/h8-18H,1,19H2,2-7H3/b21-12+
InChIKeyQTRNOPWTHBRIGV-CIAFOILYSA-N
MW347.55 g/mol
LogP7.28
Rot. Bonds5

About 4-tert-butyl-N-[(2Z)-2-tert-butylpenta-2,4-dienyl]-N-phenylaniline

4-tert-butyl-N-[(2Z)-2-tert-butylpenta-2,4-dienyl]-N-phenylaniline (PubChem CID 142315139) has the molecular formula C25H33N and a molecular weight of 347.55 g/mol. Its IUPAC name is 4-tert-butyl-N-[(2Z)-2-tert-butylpenta-2,4-dienyl]-N-phenylaniline.

Molecular Properties

Compound Name4-tert-butyl-N-[(2Z)-2-tert-butylpenta-2,4-dienyl]-N-phenylaniline
PubChem CID142315139
Molecular FormulaC25H33N
Molecular Weight347.55 g/mol
Exact Mass347.26
IUPAC Name4-tert-butyl-N-[(2Z)-2-tert-butylpenta-2,4-dienyl]-N-phenylaniline
SMILESC=C/C=C(\CN(c1ccccc1)c1ccc(C(C)(C)C)cc1)C(C)(C)C
InChIInChI=1S/C25H33N/c1-8-12-21(25(5,6)7)19-26(22-13-10-9-11-14-22)23-17-15-20(16-18-23)24(2,3)4/h8-18H,1,19H2,2-7H3/b21-12+
InChIKeyQTRNOPWTHBRIGV-CIAFOILYSA-N
XLogP7.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.55
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,4-ditert-butyl-N-phenylaniline
CID 91172141
4-tert-butyl-N,N-diphenylaniline
CID 11312667
N-[4-[(3E)-3-ethenyl-2-methylhexa-3,5-dien-2-yl]phenyl]-N-iodo-4-(2-phenylpropan-2-yl)aniline
CID 170058694
4-tert-butyl-N-[(1Z)-3-tert-butylpenta-1,3,4-trienyl]-N-phenylaniline
CID 142315144
1-N,4-N-bis[4-(2-methylbutan-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 143918142
N-(4-tert-butylphenyl)-4-[(E)-3-[4-(N-(4-tert-butylphenyl)anilino)phenyl]but-2-en-2-yl]-N-phenylaniline
CID 157179618
ethane;N-[(3E)-hexa-1,3,5-trien-3-yl]-N-methylaniline
CID 144531022
(3E)-2-N-(4-tert-butylphenyl)-4-N,4-N-diphenylhexa-1,3,5-triene-2,4-diamine
CID 155714746
4-N-[3-[4-(3-methylpentan-3-yl)phenyl]pentan-3-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 130270116
N-(4-tert-butylphenyl)-N-ethyl-2-methylaniline
CID 142467015
9-N,10-N-bis[4-(2-methylbutan-2-yl)phenyl]-9-N,10-N-diphenylanthracene-9,10-diamine
CID 134483225
2-(4-tert-butylphenyl)sulfanyl-N,N-diphenylacetamide
CID 5145476

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(2Z)-2-tert-butylpenta-2,4-dienyl]-N-phenylaniline?
The IUPAC name of 4-tert-butyl-N-[(2Z)-2-tert-butylpenta-2,4-dienyl]-N-phenylaniline (CID 142315139) is 4-tert-butyl-N-[(2Z)-2-tert-butylpenta-2,4-dienyl]-N-phenylaniline.
What is the SMILES notation for 4-tert-butyl-N-[(2Z)-2-tert-butylpenta-2,4-dienyl]-N-phenylaniline?
The canonical SMILES for 4-tert-butyl-N-[(2Z)-2-tert-butylpenta-2,4-dienyl]-N-phenylaniline is C=C/C=C(\CN(c1ccccc1)c1ccc(C(C)(C)C)cc1)C(C)(C)C.
What is the InChIKey of 4-tert-butyl-N-[(2Z)-2-tert-butylpenta-2,4-dienyl]-N-phenylaniline?
The InChIKey is QTRNOPWTHBRIGV-CIAFOILYSA-N. The full InChI is InChI=1S/C25H33N/c1-8-12-21(25(5,6)7)19-26(22-13-10-9-11-14-22)23-17-15-20(16-18-23)24(2,3)4/h8-18H,1,19H2,2-7H3/b21-12+.
What are the key properties of 4-tert-butyl-N-[(2Z)-2-tert-butylpenta-2,4-dienyl]-N-phenylaniline?
4-tert-butyl-N-[(2Z)-2-tert-butylpenta-2,4-dienyl]-N-phenylaniline has a molecular weight of 347.55 g/mol, XLogP of 7.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(2Z)-2-tert-butylpenta-2,4-dienyl]-N-phenylaniline is sourced from PubChem (CID 142315139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).