(3E)-2-N-(4-tert-butylphenyl)-4-N,4-N-diphenylhexa-1,3,5-triene-2,4-diamine

C28H30N2 — CID 155714746

IUPAC(3E)-2-N-(4-tert-butylphenyl)-4-N,4-N-diphenylhexa-1,3,5-triene-2,4-diamine
SMILESC=C/C(=C\C(=C)Nc1ccc(C(C)(C)C)cc1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H30N2/c1-6-25(21-22(2)29-24-19-17-23(18-20-24)28(3,4)5)30(26-13-9-7-10-14-26)27-15-11-8-12-16-27/h6-21,29H,1-2H2,3-5H3/b25-21+
InChIKeyPOSZSHWMBURBJC-NJNXFGOHSA-N
MW394.56 g/mol
LogP7.82
Rot. Bonds7

About (3E)-2-N-(4-tert-butylphenyl)-4-N,4-N-diphenylhexa-1,3,5-triene-2,4-diamine

(3E)-2-N-(4-tert-butylphenyl)-4-N,4-N-diphenylhexa-1,3,5-triene-2,4-diamine (PubChem CID 155714746) has the molecular formula C28H30N2 and a molecular weight of 394.56 g/mol. Its IUPAC name is (3E)-2-N-(4-tert-butylphenyl)-4-N,4-N-diphenylhexa-1,3,5-triene-2,4-diamine.

Molecular Properties

Compound Name(3E)-2-N-(4-tert-butylphenyl)-4-N,4-N-diphenylhexa-1,3,5-triene-2,4-diamine
PubChem CID155714746
Molecular FormulaC28H30N2
Molecular Weight394.56 g/mol
Exact Mass394.24
IUPAC Name(3E)-2-N-(4-tert-butylphenyl)-4-N,4-N-diphenylhexa-1,3,5-triene-2,4-diamine
SMILESC=C/C(=C\C(=C)Nc1ccc(C(C)(C)C)cc1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H30N2/c1-6-25(21-22(2)29-24-19-17-23(18-20-24)28(3,4)5)30(26-13-9-7-10-14-26)27-15-11-8-12-16-27/h6-21,29H,1-2H2,3-5H3/b25-21+
InChIKeyPOSZSHWMBURBJC-NJNXFGOHSA-N
XLogP7.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 57.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E)-2-N-(4-tert-butylphenyl)-4-N,4-N-diphenylhexa-1,3,5-triene-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-tert-butylphenyl)-4-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)aniline
CID 134301730
3-(4-tert-butylphenyl)-1-ethyl-1-phenylurea
CID 108884791
N-[(4Z)-5-ethenyl-6-methylhepta-2,4,6-trien-3-yl]-4-(1-fluoro-2,2-dimethylpropyl)-N-phenylaniline
CID 143296030
4-tert-butyl-N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-N-[(3E)-penta-1,3-dien-3-yl]aniline
CID 144650423
N'-(4-tert-butylphenyl)-N-phenylpropanediamide
CID 108952831
4-tert-butyl-N-[(2Z)-2-tert-butylpenta-2,4-dienyl]-N-phenylaniline
CID 142315139
N-buta-1,3-dien-2-yl-4-methylaniline
CID 143234839
4-tert-butyl-N-[[4-[methyl(phenyl)carbamoyl]phenyl]carbamothioyl]benzamide
CID 17230402
4-tert-butyl-N,N-diphenylaniline
CID 11312667
N-[4-[4-(N-[(3E)-hexa-1,3,5-trien-3-yl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-phenylaniline
CID 166937509
N-buta-1,3-dien-2-yl-4-methylaniline;ethane
CID 143234838
N-[4-[N-acetyl-4-(N-acetylanilino)anilino]phenyl]-2-methylprop-2-enamide
CID 101072014

Frequently Asked Questions

What is the IUPAC name of (3E)-2-N-(4-tert-butylphenyl)-4-N,4-N-diphenylhexa-1,3,5-triene-2,4-diamine?
The IUPAC name of (3E)-2-N-(4-tert-butylphenyl)-4-N,4-N-diphenylhexa-1,3,5-triene-2,4-diamine (CID 155714746) is (3E)-2-N-(4-tert-butylphenyl)-4-N,4-N-diphenylhexa-1,3,5-triene-2,4-diamine.
What is the SMILES notation for (3E)-2-N-(4-tert-butylphenyl)-4-N,4-N-diphenylhexa-1,3,5-triene-2,4-diamine?
The canonical SMILES for (3E)-2-N-(4-tert-butylphenyl)-4-N,4-N-diphenylhexa-1,3,5-triene-2,4-diamine is C=C/C(=C\C(=C)Nc1ccc(C(C)(C)C)cc1)N(c1ccccc1)c1ccccc1.
What is the InChIKey of (3E)-2-N-(4-tert-butylphenyl)-4-N,4-N-diphenylhexa-1,3,5-triene-2,4-diamine?
The InChIKey is POSZSHWMBURBJC-NJNXFGOHSA-N. The full InChI is InChI=1S/C28H30N2/c1-6-25(21-22(2)29-24-19-17-23(18-20-24)28(3,4)5)30(26-13-9-7-10-14-26)27-15-11-8-12-16-27/h6-21,29H,1-2H2,3-5H3/b25-21+.
What are the key properties of (3E)-2-N-(4-tert-butylphenyl)-4-N,4-N-diphenylhexa-1,3,5-triene-2,4-diamine?
(3E)-2-N-(4-tert-butylphenyl)-4-N,4-N-diphenylhexa-1,3,5-triene-2,4-diamine has a molecular weight of 394.56 g/mol, XLogP of 7.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-N-(4-tert-butylphenyl)-4-N,4-N-diphenylhexa-1,3,5-triene-2,4-diamine is sourced from PubChem (CID 155714746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).