N-[(E)-anthracen-9-ylmethylideneamino]-N-benzylaniline

C28H22N2 — CID 21205176

IUPACN-[(E)-anthracen-9-ylmethylideneamino]-N-benzylaniline
SMILESC(=N/N(Cc1ccccc1)c1ccccc1)\c1c2ccccc2cc2ccccc12
InChIInChI=1S/C28H22N2/c1-3-11-22(12-4-1)21-30(25-15-5-2-6-16-25)29-20-28-26-17-9-7-13-23(26)19-24-14-8-10-18-27(24)28/h1-20H,21H2/b29-20+
InChIKeyRJWVCYRTFFOCDP-ZTKZIYFRSA-N
MW386.50 g/mol
LogP7.03
Rot. Bonds5

About N-[(E)-anthracen-9-ylmethylideneamino]-N-benzylaniline

N-[(E)-anthracen-9-ylmethylideneamino]-N-benzylaniline (PubChem CID 21205176) has the molecular formula C28H22N2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[(E)-anthracen-9-ylmethylideneamino]-N-benzylaniline.

Molecular Properties

Compound NameN-[(E)-anthracen-9-ylmethylideneamino]-N-benzylaniline
PubChem CID21205176
Molecular FormulaC28H22N2
Molecular Weight386.50 g/mol
Exact Mass386.18
IUPAC NameN-[(E)-anthracen-9-ylmethylideneamino]-N-benzylaniline
SMILESC(=N/N(Cc1ccccc1)c1ccccc1)\c1c2ccccc2cc2ccccc12
InChIInChI=1S/C28H22N2/c1-3-11-22(12-4-1)21-30(25-15-5-2-6-16-25)29-20-28-26-17-9-7-13-23(26)19-24-14-8-10-18-27(24)28/h1-20H,21H2/b29-20+
InChIKeyRJWVCYRTFFOCDP-ZTKZIYFRSA-N
XLogP7.03
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-[(4-phenylphenyl)methylideneamino]aniline
CID 3486840
N-benzyl-N-[(E)-1H-indol-3-ylmethylideneamino]aniline
CID 135717367
N-benzyl-N-[(Z)-(4-methylphenyl)methylideneamino]aniline
CID 6268194
4-[[benzyl(phenyl)hydrazinylidene]methyl]benzene-1,2,3-triol
CID 4079078
N-benzyl-N-[(4-butoxyphenyl)methylideneamino]aniline
CID 4188991
N-benzyl-N-[(E)-benzylideneamino]-3,5-dimethylaniline
CID 53376390
N-benzyl-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]aniline
CID 6047667
(2R,3R,4E)-4-[benzyl(phenyl)hydrazinylidene]butane-1,2,3-triol
CID 98511351
1-[(Z)-(diphenylhydrazinylidene)methyl]naphthalen-2-ol
CID 136690442
(NZ)-N-(anthracen-9-ylmethylidene)hydroxylamine
CID 5355154
4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-methoxyphenol
CID 4245483
N-benzyl-N-[[3-(4-chlorophenoxy)phenyl]methylideneamino]aniline
CID 4109737

Frequently Asked Questions

What is the IUPAC name of N-[(E)-anthracen-9-ylmethylideneamino]-N-benzylaniline?
The IUPAC name of N-[(E)-anthracen-9-ylmethylideneamino]-N-benzylaniline (CID 21205176) is N-[(E)-anthracen-9-ylmethylideneamino]-N-benzylaniline.
What is the SMILES notation for N-[(E)-anthracen-9-ylmethylideneamino]-N-benzylaniline?
The canonical SMILES for N-[(E)-anthracen-9-ylmethylideneamino]-N-benzylaniline is C(=N/N(Cc1ccccc1)c1ccccc1)\c1c2ccccc2cc2ccccc12.
What is the InChIKey of N-[(E)-anthracen-9-ylmethylideneamino]-N-benzylaniline?
The InChIKey is RJWVCYRTFFOCDP-ZTKZIYFRSA-N. The full InChI is InChI=1S/C28H22N2/c1-3-11-22(12-4-1)21-30(25-15-5-2-6-16-25)29-20-28-26-17-9-7-13-23(26)19-24-14-8-10-18-27(24)28/h1-20H,21H2/b29-20+.
What are the key properties of N-[(E)-anthracen-9-ylmethylideneamino]-N-benzylaniline?
N-[(E)-anthracen-9-ylmethylideneamino]-N-benzylaniline has a molecular weight of 386.50 g/mol, XLogP of 7.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-anthracen-9-ylmethylideneamino]-N-benzylaniline is sourced from PubChem (CID 21205176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).