(E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-(4-fluorophenyl)methanimine

C23H23FNOP — CID 135076564

IUPAC(E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-(4-fluorophenyl)methanimine
SMILESCc1cccc(C)c1P(=O)(/N=C/c1ccc(F)cc1)c1c(C)cccc1C
InChIInChI=1S/C23H23FNOP/c1-16-7-5-8-17(2)22(16)27(26,23-18(3)9-6-10-19(23)4)25-15-20-11-13-21(24)14-12-20/h5-15H,1-4H3/b25-15+
InChIKeyGFPQAMSPRMBTGF-MFKUBSTISA-N
MW379.42 g/mol
LogP5.41
Rot. Bonds4

About (E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-(4-fluorophenyl)methanimine

(E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-(4-fluorophenyl)methanimine (PubChem CID 135076564) has the molecular formula C23H23FNOP and a molecular weight of 379.42 g/mol. Its IUPAC name is (E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-(4-fluorophenyl)methanimine.

Molecular Properties

Compound Name(E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-(4-fluorophenyl)methanimine
PubChem CID135076564
Molecular FormulaC23H23FNOP
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name(E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-(4-fluorophenyl)methanimine
SMILESCc1cccc(C)c1P(=O)(/N=C/c1ccc(F)cc1)c1c(C)cccc1C
InChIInChI=1S/C23H23FNOP/c1-16-7-5-8-17(2)22(16)27(26,23-18(3)9-6-10-19(23)4)25-15-20-11-13-21(24)14-12-20/h5-15H,1-4H3/b25-15+
InChIKeyGFPQAMSPRMBTGF-MFKUBSTISA-N
XLogP5.41
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.42
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

P,P-Diphenyl-N-(phenylmethylene)phosphinic amide
CID 608413
2-(Diphenylphosphino)benzaldehyde oxime
CID 15655459
N-{[2-(Diphenylphosphanyl)phenyl]methylidene}hydroxylamine
CID 71317484
(E)-N-Benzylidene-P,P-diphenylphosphinic amide
CID 9603698
N-[2-(Diphenylphosphino)benzylidene]hydroxylamine
CID 98043674
1-(Diphenylphosphinoyl)-4,4,4-trifluoro-1-phenyl-2-azabut-1-ene
CID 4090491
(E)-N-diphenylphosphoryl-1-(4-fluorophenyl)methanimine
CID 11313306
(E)-N-bis(3,5-dimethylphenyl)phosphoryl-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 11487569
(E)-N-diphenylphosphoryl-1-[4-(trifluoromethyl)phenyl]methanimine
CID 13431939
(E)-N-diphenylphosphoryl-1-(4-fluorophenyl)ethanimine
CID 44178551
(E)-N-diphenylphosphoryl-1-(2-fluorophenyl)methanimine
CID 52952440
(E)-N-diphenylphosphoryl-1-(2-methylphenyl)methanimine
CID 12167332

Frequently Asked Questions

What is the IUPAC name of (E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-(4-fluorophenyl)methanimine?
The IUPAC name of (E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-(4-fluorophenyl)methanimine (CID 135076564) is (E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-(4-fluorophenyl)methanimine.
What is the SMILES notation for (E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-(4-fluorophenyl)methanimine?
The canonical SMILES for (E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-(4-fluorophenyl)methanimine is Cc1cccc(C)c1P(=O)(/N=C/c1ccc(F)cc1)c1c(C)cccc1C.
What is the InChIKey of (E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-(4-fluorophenyl)methanimine?
The InChIKey is GFPQAMSPRMBTGF-MFKUBSTISA-N. The full InChI is InChI=1S/C23H23FNOP/c1-16-7-5-8-17(2)22(16)27(26,23-18(3)9-6-10-19(23)4)25-15-20-11-13-21(24)14-12-20/h5-15H,1-4H3/b25-15+.
What are the key properties of (E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-(4-fluorophenyl)methanimine?
(E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-(4-fluorophenyl)methanimine has a molecular weight of 379.42 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-(4-fluorophenyl)methanimine is sourced from PubChem (CID 135076564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).