4-[(E)-3,4-dihydro-2H-phenazin-1-ylidenemethyl]-N,N-dimethylaniline

C21H21N3 — CID 58659824

IUPAC4-[(E)-3,4-dihydro-2H-phenazin-1-ylidenemethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C2\CCCc3nc4ccccc4nc32)cc1
InChIInChI=1S/C21H21N3/c1-24(2)17-12-10-15(11-13-17)14-16-6-5-9-20-21(16)23-19-8-4-3-7-18(19)22-20/h3-4,7-8,10-14H,5-6,9H2,1-2H3/b16-14+
InChIKeyOQSNSYXABVYHMD-JQIJEIRASA-N
MW315.42 g/mol
LogP4.57
Rot. Bonds2

About 4-[(E)-3,4-dihydro-2H-phenazin-1-ylidenemethyl]-N,N-dimethylaniline

4-[(E)-3,4-dihydro-2H-phenazin-1-ylidenemethyl]-N,N-dimethylaniline (PubChem CID 58659824) has the molecular formula C21H21N3 and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-[(E)-3,4-dihydro-2H-phenazin-1-ylidenemethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-3,4-dihydro-2H-phenazin-1-ylidenemethyl]-N,N-dimethylaniline
PubChem CID58659824
Molecular FormulaC21H21N3
Molecular Weight315.42 g/mol
Exact Mass315.17
IUPAC Name4-[(E)-3,4-dihydro-2H-phenazin-1-ylidenemethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C2\CCCc3nc4ccccc4nc32)cc1
InChIInChI=1S/C21H21N3/c1-24(2)17-12-10-15(11-13-17)14-16-6-5-9-20-21(16)23-19-8-4-3-7-18(19)22-20/h3-4,7-8,10-14H,5-6,9H2,1-2H3/b16-14+
InChIKeyOQSNSYXABVYHMD-JQIJEIRASA-N
XLogP4.57
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

(2E,6E)-2-benzylidene-6-[[4-(dimethylamino)phenyl]methylidene]cyclohexan-1-one
CID 2313555
[(2E,6E)-2,6-bis[[4-(dimethylamino)phenyl]methylidene]cyclohexylidene]-methyl-phenylazanium
CID 44669203
4-[(Z)-2,3-dihydroinden-1-ylidenemethyl]-N,N-dimethylaniline
CID 6508665
2-[[4-(dimethylamino)phenyl]methylidene]-6-(thiophen-2-ylmethylidene)cyclohexan-1-one
CID 3808078
4-[(4-hydroxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 3748703
2-[(4-fluorophenyl)methylidene]cyclopentan-1-one;N,N,4-trimethylaniline
CID 174752961
4-[(E)-3H-isoquinolin-4-ylidenemethyl]-N,N-dimethylaniline
CID 151709463
(4E)-4-[(4-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 6245839
(4E)-4-[(4-methylsulfanylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 7946324
(4E)-4-[(4-methoxycarbonylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 7946332
4-[(Z)-(5-benzyl-8,9-dihydro-7H-phenanthridin-5-ium-10-ylidene)methyl]-N,N-dimethylaniline
CID 87593039
4-[(Z)-(5-ethyl-8,9-dihydro-7H-phenanthridin-5-ium-10-ylidene)methyl]-N,N-dimethylaniline perchlorate
CID 87592367

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3,4-dihydro-2H-phenazin-1-ylidenemethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-3,4-dihydro-2H-phenazin-1-ylidenemethyl]-N,N-dimethylaniline (CID 58659824) is 4-[(E)-3,4-dihydro-2H-phenazin-1-ylidenemethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-3,4-dihydro-2H-phenazin-1-ylidenemethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-3,4-dihydro-2H-phenazin-1-ylidenemethyl]-N,N-dimethylaniline is CN(C)c1ccc(/C=C2\CCCc3nc4ccccc4nc32)cc1.
What is the InChIKey of 4-[(E)-3,4-dihydro-2H-phenazin-1-ylidenemethyl]-N,N-dimethylaniline?
The InChIKey is OQSNSYXABVYHMD-JQIJEIRASA-N. The full InChI is InChI=1S/C21H21N3/c1-24(2)17-12-10-15(11-13-17)14-16-6-5-9-20-21(16)23-19-8-4-3-7-18(19)22-20/h3-4,7-8,10-14H,5-6,9H2,1-2H3/b16-14+.
What are the key properties of 4-[(E)-3,4-dihydro-2H-phenazin-1-ylidenemethyl]-N,N-dimethylaniline?
4-[(E)-3,4-dihydro-2H-phenazin-1-ylidenemethyl]-N,N-dimethylaniline has a molecular weight of 315.42 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3,4-dihydro-2H-phenazin-1-ylidenemethyl]-N,N-dimethylaniline is sourced from PubChem (CID 58659824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).