4-tert-butyl-N-[(1Z)-3-tert-butylpenta-1,3,4-trienyl]-N-phenylaniline

C25H31N — CID 142315144

IUPAC4-tert-butyl-N-[(1Z)-3-tert-butylpenta-1,3,4-trienyl]-N-phenylaniline
SMILESC=C=C(/C=C\N(c1ccccc1)c1ccc(C(C)(C)C)cc1)C(C)(C)C
InChIInChI=1S/C25H31N/c1-8-20(24(2,3)4)18-19-26(22-12-10-9-11-13-22)23-16-14-21(15-17-23)25(5,6)7/h9-19H,1H2,2-7H3/b19-18-
InChIKeyZCXVIVLUMHJDJI-HNENSFHCSA-N
MW345.53 g/mol
LogP7.39
Rot. Bonds4

About 4-tert-butyl-N-[(1Z)-3-tert-butylpenta-1,3,4-trienyl]-N-phenylaniline

4-tert-butyl-N-[(1Z)-3-tert-butylpenta-1,3,4-trienyl]-N-phenylaniline (PubChem CID 142315144) has the molecular formula C25H31N and a molecular weight of 345.53 g/mol. Its IUPAC name is 4-tert-butyl-N-[(1Z)-3-tert-butylpenta-1,3,4-trienyl]-N-phenylaniline.

Molecular Properties

Compound Name4-tert-butyl-N-[(1Z)-3-tert-butylpenta-1,3,4-trienyl]-N-phenylaniline
PubChem CID142315144
Molecular FormulaC25H31N
Molecular Weight345.53 g/mol
Exact Mass345.25
IUPAC Name4-tert-butyl-N-[(1Z)-3-tert-butylpenta-1,3,4-trienyl]-N-phenylaniline
SMILESC=C=C(/C=C\N(c1ccccc1)c1ccc(C(C)(C)C)cc1)C(C)(C)C
InChIInChI=1S/C25H31N/c1-8-20(24(2,3)4)18-19-26(22-12-10-9-11-13-22)23-16-14-21(15-17-23)25(5,6)7/h9-19H,1H2,2-7H3/b19-18-
InChIKeyZCXVIVLUMHJDJI-HNENSFHCSA-N
XLogP7.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.53
LogP ≤ 57.39
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

4-tert-butyl-N,N-diphenylaniline
CID 11312667
4-tert-butyl-N-[(2Z)-2-tert-butylpenta-2,4-dienyl]-N-phenylaniline
CID 142315139
N,4-ditert-butyl-N-phenylaniline
CID 91172141
(Z)-1-phenyl-3-(N-phenylanilino)prop-2-en-1-one
CID 54601920
tert-butylbenzene;methanimine
CID 174908280
N-(4-tert-butylphenyl)-4-[(E)-3-[4-(N-(4-tert-butylphenyl)anilino)phenyl]but-2-en-2-yl]-N-phenylaniline
CID 157179618
4-tert-butyl-N-[(3Z)-6,6-dimethyl-5-methylidenehepta-1,3-dien-2-yl]-N-[(3Z)-6,6,7,7-tetramethyl-5-methylideneocta-1,3-dien-2-yl]aniline
CID 142308507
N-tert-butyl-N-(4-tert-butylphenyl)benzamide
CID 517588
4-tert-butyl-N'-methyl-N'-phenylbenzohydrazide
CID 9479496
N-(4-tert-butylphenyl)-N-methyl-4-phenylaniline
CID 70891344
1-N,4-N-bis[4-(2-methylbutan-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 143918142
(E)-1-N,1-N-diphenylbut-1-ene-1,3-diamine
CID 101288981

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(1Z)-3-tert-butylpenta-1,3,4-trienyl]-N-phenylaniline?
The IUPAC name of 4-tert-butyl-N-[(1Z)-3-tert-butylpenta-1,3,4-trienyl]-N-phenylaniline (CID 142315144) is 4-tert-butyl-N-[(1Z)-3-tert-butylpenta-1,3,4-trienyl]-N-phenylaniline.
What is the SMILES notation for 4-tert-butyl-N-[(1Z)-3-tert-butylpenta-1,3,4-trienyl]-N-phenylaniline?
The canonical SMILES for 4-tert-butyl-N-[(1Z)-3-tert-butylpenta-1,3,4-trienyl]-N-phenylaniline is C=C=C(/C=C\N(c1ccccc1)c1ccc(C(C)(C)C)cc1)C(C)(C)C.
What is the InChIKey of 4-tert-butyl-N-[(1Z)-3-tert-butylpenta-1,3,4-trienyl]-N-phenylaniline?
The InChIKey is ZCXVIVLUMHJDJI-HNENSFHCSA-N. The full InChI is InChI=1S/C25H31N/c1-8-20(24(2,3)4)18-19-26(22-12-10-9-11-13-22)23-16-14-21(15-17-23)25(5,6)7/h9-19H,1H2,2-7H3/b19-18-.
What are the key properties of 4-tert-butyl-N-[(1Z)-3-tert-butylpenta-1,3,4-trienyl]-N-phenylaniline?
4-tert-butyl-N-[(1Z)-3-tert-butylpenta-1,3,4-trienyl]-N-phenylaniline has a molecular weight of 345.53 g/mol, XLogP of 7.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(1Z)-3-tert-butylpenta-1,3,4-trienyl]-N-phenylaniline is sourced from PubChem (CID 142315144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).