N-(6-phenyliminodeca-1,3,7,9-tetraenyl)aniline

C22H22N2 — CID 151597012

IUPACN-(6-phenyliminodeca-1,3,7,9-tetraenyl)aniline
SMILESC=CC=C/C(CC=CC=CNc1ccccc1)=N\c1ccccc1
InChIInChI=1S/C22H22N2/c1-2-3-13-21(24-22-16-9-5-10-17-22)18-11-6-12-19-23-20-14-7-4-8-15-20/h2-17,19,23H,1,18H2/b11-6?,13-3?,19-12?,24-21+
InChIKeyQJRHXHCRRRTKBJ-PQFJBPTISA-N
MW314.43 g/mol
LogP6.07
Rot. Bonds8

About N-(6-phenyliminodeca-1,3,7,9-tetraenyl)aniline

N-(6-phenyliminodeca-1,3,7,9-tetraenyl)aniline (PubChem CID 151597012) has the molecular formula C22H22N2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-(6-phenyliminodeca-1,3,7,9-tetraenyl)aniline.

Molecular Properties

Compound NameN-(6-phenyliminodeca-1,3,7,9-tetraenyl)aniline
PubChem CID151597012
Molecular FormulaC22H22N2
Molecular Weight314.43 g/mol
Exact Mass314.18
IUPAC NameN-(6-phenyliminodeca-1,3,7,9-tetraenyl)aniline
SMILESC=CC=C/C(CC=CC=CNc1ccccc1)=N\c1ccccc1
InChIInChI=1S/C22H22N2/c1-2-3-13-21(24-22-16-9-5-10-17-22)18-11-6-12-19-23-20-14-7-4-8-15-20/h2-17,19,23H,1,18H2/b11-6?,13-3?,19-12?,24-21+
InChIKeyQJRHXHCRRRTKBJ-PQFJBPTISA-N
XLogP6.07
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-(6-phenyliminodeca-1,3,7,9-tetraenyl)aniline 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-[(1E,3E)-hexa-1,3,5-trienyl]aniline
CID 88563341
N,N'-diphenylpenta-1,3-diene-1,5-diamine;hydrochloride
CID 156769012
N,N'-diphenylhexa-1,3,5-triene-1,6-diamine;hydrochloride
CID 75086588
(3Z,6Z)-2,4-diamino-N,N'-diphenylnona-3,6,8-trienimidamide
CID 142296381
N-[(1E)-5-phenyliminopenta-1,3-dienyl]aniline;hydrochloride
CID 161064876
N-[(1E)-penta-1,4-dienyl]aniline
CID 142183076
hydron;N-[(1E)-5-phenyliminopenta-1,3-dienyl]aniline;chloride
CID 174144711
hydron;N-[(E)-3-phenyliminoprop-1-enyl]aniline;chloride
CID 91997009
8-anilinoocta-3,5,7-trien-2-ylidene(dimethyl)azanium
CID 123995798
ethene;N-phenylmethanimine;N-[(E)-prop-1-enyl]aniline
CID 142069096
2-anilinoethenol
CID 154058037
N-[(1E,3E)-4-tert-butylhexa-1,3,5-trienyl]aniline
CID 118027593

Frequently Asked Questions

What is the IUPAC name of N-(6-phenyliminodeca-1,3,7,9-tetraenyl)aniline?
The IUPAC name of N-(6-phenyliminodeca-1,3,7,9-tetraenyl)aniline (CID 151597012) is N-(6-phenyliminodeca-1,3,7,9-tetraenyl)aniline.
What is the SMILES notation for N-(6-phenyliminodeca-1,3,7,9-tetraenyl)aniline?
The canonical SMILES for N-(6-phenyliminodeca-1,3,7,9-tetraenyl)aniline is C=CC=C/C(CC=CC=CNc1ccccc1)=N\c1ccccc1.
What is the InChIKey of N-(6-phenyliminodeca-1,3,7,9-tetraenyl)aniline?
The InChIKey is QJRHXHCRRRTKBJ-PQFJBPTISA-N. The full InChI is InChI=1S/C22H22N2/c1-2-3-13-21(24-22-16-9-5-10-17-22)18-11-6-12-19-23-20-14-7-4-8-15-20/h2-17,19,23H,1,18H2/b11-6?,13-3?,19-12?,24-21+.
What are the key properties of N-(6-phenyliminodeca-1,3,7,9-tetraenyl)aniline?
N-(6-phenyliminodeca-1,3,7,9-tetraenyl)aniline has a molecular weight of 314.43 g/mol, XLogP of 6.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-phenyliminodeca-1,3,7,9-tetraenyl)aniline is sourced from PubChem (CID 151597012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).