3-phenyl-N-(3-phenylhexa-2,5-dienyl)hexa-2,5-dien-1-amine

C24H27N — CID 130400295

IUPAC3-phenyl-N-(3-phenylhexa-2,5-dienyl)hexa-2,5-dien-1-amine
SMILESC=CCC(=CCNCC=C(CC=C)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27N/c1-3-11-21(23-13-7-5-8-14-23)17-19-25-20-18-22(12-4-2)24-15-9-6-10-16-24/h3-10,13-18,25H,1-2,11-12,19-20H2
InChIKeyZSOGZQAZHZVKDH-UHFFFAOYSA-N
MW329.49 g/mol
LogP5.90
Rot. Bonds10

About 3-phenyl-N-(3-phenylhexa-2,5-dienyl)hexa-2,5-dien-1-amine

3-phenyl-N-(3-phenylhexa-2,5-dienyl)hexa-2,5-dien-1-amine (PubChem CID 130400295) has the molecular formula C24H27N and a molecular weight of 329.49 g/mol. Its IUPAC name is 3-phenyl-N-(3-phenylhexa-2,5-dienyl)hexa-2,5-dien-1-amine.

Molecular Properties

Compound Name3-phenyl-N-(3-phenylhexa-2,5-dienyl)hexa-2,5-dien-1-amine
PubChem CID130400295
Molecular FormulaC24H27N
Molecular Weight329.49 g/mol
Exact Mass329.21
IUPAC Name3-phenyl-N-(3-phenylhexa-2,5-dienyl)hexa-2,5-dien-1-amine
SMILESC=CCC(=CCNCC=C(CC=C)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27N/c1-3-11-21(23-13-7-5-8-14-23)17-19-25-20-18-22(12-4-2)24-15-9-6-10-16-24/h3-10,13-18,25H,1-2,11-12,19-20H2
InChIKeyZSOGZQAZHZVKDH-UHFFFAOYSA-N
XLogP5.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.49
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-phenyl-N-(3-phenylhexa-2,5-dienyl)hexa-2,5-dien-1-amine 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

1-phenylethenylbenzene;N-prop-2-enylprop-2-en-1-amine
CID 67437631
1-phenylbut-3-ene-1-thione
CID 23072627
diphenylmethanone;1-phenylbut-3-en-1-one
CID 122640182
1-hexa-2,5-dien-3-yl-4-phenylbenzene
CID 173362855
N,1-diphenylbut-3-en-1-imine
CID 12676193
1-ethoxy-4-[(2Z)-3-phenylhexa-2,5-dienyl]benzene
CID 57173375
2,4-dioxo-4-phenyl-N-prop-2-enylbutanamide
CID 24834538
N-hydroperoxy-1-phenylbut-3-en-1-imine
CID 87907141
magnesium;1-phenylbut-3-enylideneazanide;chloride
CID 10013141
N-(3,3-diphenylprop-2-enyl)hydroxylamine
CID 10775571
(Z)-4-anilino-2-phenylbut-2-en-1-ol
CID 177431332
[(1Z)-2-bromo-1-chloropenta-1,4-dienyl]benzene
CID 125477290

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(3-phenylhexa-2,5-dienyl)hexa-2,5-dien-1-amine?
The IUPAC name of 3-phenyl-N-(3-phenylhexa-2,5-dienyl)hexa-2,5-dien-1-amine (CID 130400295) is 3-phenyl-N-(3-phenylhexa-2,5-dienyl)hexa-2,5-dien-1-amine.
What is the SMILES notation for 3-phenyl-N-(3-phenylhexa-2,5-dienyl)hexa-2,5-dien-1-amine?
The canonical SMILES for 3-phenyl-N-(3-phenylhexa-2,5-dienyl)hexa-2,5-dien-1-amine is C=CCC(=CCNCC=C(CC=C)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-phenyl-N-(3-phenylhexa-2,5-dienyl)hexa-2,5-dien-1-amine?
The InChIKey is ZSOGZQAZHZVKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N/c1-3-11-21(23-13-7-5-8-14-23)17-19-25-20-18-22(12-4-2)24-15-9-6-10-16-24/h3-10,13-18,25H,1-2,11-12,19-20H2.
What are the key properties of 3-phenyl-N-(3-phenylhexa-2,5-dienyl)hexa-2,5-dien-1-amine?
3-phenyl-N-(3-phenylhexa-2,5-dienyl)hexa-2,5-dien-1-amine has a molecular weight of 329.49 g/mol, XLogP of 5.90, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(3-phenylhexa-2,5-dienyl)hexa-2,5-dien-1-amine is sourced from PubChem (CID 130400295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).