N-[(Z)-(2,2,2-trifluoro-1-phenanthren-9-ylethylidene)amino]aniline

C22H15F3N2 — CID 11783447

IUPACN-[(Z)-(2,2,2-trifluoro-1-phenanthren-9-ylethylidene)amino]aniline
SMILESFC(F)(F)/C(=N\Nc1ccccc1)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C22H15F3N2/c23-22(24,25)21(27-26-16-9-2-1-3-10-16)20-14-15-8-4-5-11-17(15)18-12-6-7-13-19(18)20/h1-14,26H/b27-21-
InChIKeyTXQMEMFKFALOHZ-MEFGMAGPSA-N
MW364.37 g/mol
LogP6.37
Rot. Bonds3

About N-[(Z)-(2,2,2-trifluoro-1-phenanthren-9-ylethylidene)amino]aniline

N-[(Z)-(2,2,2-trifluoro-1-phenanthren-9-ylethylidene)amino]aniline (PubChem CID 11783447) has the molecular formula C22H15F3N2 and a molecular weight of 364.37 g/mol. Its IUPAC name is N-[(Z)-(2,2,2-trifluoro-1-phenanthren-9-ylethylidene)amino]aniline.

Molecular Properties

Compound NameN-[(Z)-(2,2,2-trifluoro-1-phenanthren-9-ylethylidene)amino]aniline
PubChem CID11783447
Molecular FormulaC22H15F3N2
Molecular Weight364.37 g/mol
Exact Mass364.12
IUPAC NameN-[(Z)-(2,2,2-trifluoro-1-phenanthren-9-ylethylidene)amino]aniline
SMILESFC(F)(F)/C(=N\Nc1ccccc1)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C22H15F3N2/c23-22(24,25)21(27-26-16-9-2-1-3-10-16)20-14-15-8-4-5-11-17(15)18-12-6-7-13-19(18)20/h1-14,26H/b27-21-
InChIKeyTXQMEMFKFALOHZ-MEFGMAGPSA-N
XLogP6.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.37
LogP ≤ 56.37
H-Bond Donors ≤ 51
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_3', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[(E)-1-[4-[4-[(E)-N-(4-fluoroanilino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]aniline
CID 146301731
2-Naphthaldehyde phenylhydrazone
CID 9650850
2-fluoro-N-[(E)-[4-[3-[(E)-[(2-fluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline
CID 134164392
N-[(E)-[4-[3-[(E)-(phenylhydrazinylidene)methyl]phenyl]phenyl]methylideneamino]aniline
CID 134164401
4-fluoro-N-[(E)-[4-[3-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline
CID 137394489
N-[(E)-[4-[3-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]-2,4-difluoroaniline
CID 137394490
N-[(E)-[4-[3-[(E)-[(3,5-difluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]-3,5-difluoroaniline
CID 137394495
N-[(E)-[4-[4-[(E)-(phenylhydrazinylidene)methyl]phenyl]phenyl]methylideneamino]aniline
CID 146304249
2-fluoro-N-[(E)-[4-[4-[(E)-[(2-fluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline
CID 146304256
3-fluoro-N-[(E)-[4-[4-[(E)-[(3-fluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline
CID 146304258
N-[(E)-[4-[4-[(E)-[(3,5-difluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]-3,5-difluoroaniline
CID 146304260
3-fluoro-N-[(E)-[4-[3-[(E)-[(3-fluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline
CID 146304313

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,2,2-trifluoro-1-phenanthren-9-ylethylidene)amino]aniline?
The IUPAC name of N-[(Z)-(2,2,2-trifluoro-1-phenanthren-9-ylethylidene)amino]aniline (CID 11783447) is N-[(Z)-(2,2,2-trifluoro-1-phenanthren-9-ylethylidene)amino]aniline.
What is the SMILES notation for N-[(Z)-(2,2,2-trifluoro-1-phenanthren-9-ylethylidene)amino]aniline?
The canonical SMILES for N-[(Z)-(2,2,2-trifluoro-1-phenanthren-9-ylethylidene)amino]aniline is FC(F)(F)/C(=N\Nc1ccccc1)c1cc2ccccc2c2ccccc12.
What is the InChIKey of N-[(Z)-(2,2,2-trifluoro-1-phenanthren-9-ylethylidene)amino]aniline?
The InChIKey is TXQMEMFKFALOHZ-MEFGMAGPSA-N. The full InChI is InChI=1S/C22H15F3N2/c23-22(24,25)21(27-26-16-9-2-1-3-10-16)20-14-15-8-4-5-11-17(15)18-12-6-7-13-19(18)20/h1-14,26H/b27-21-.
What are the key properties of N-[(Z)-(2,2,2-trifluoro-1-phenanthren-9-ylethylidene)amino]aniline?
N-[(Z)-(2,2,2-trifluoro-1-phenanthren-9-ylethylidene)amino]aniline has a molecular weight of 364.37 g/mol, XLogP of 6.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,2,2-trifluoro-1-phenanthren-9-ylethylidene)amino]aniline is sourced from PubChem (CID 11783447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).