[2-nitro-4-(trifluoromethyl)phenyl]imino-triphenyl-λ5-phosphane

C25H18F3N2O2P — CID 4120894

IUPAC[2-nitro-4-(trifluoromethyl)phenyl]imino-triphenyl-λ5-phosphane
SMILESO=[N+]([O-])c1cc(C(F)(F)F)ccc1N=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H18F3N2O2P/c26-25(27,28)19-16-17-23(24(18-19)30(31)32)29-33(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-18H
InChIKeyABZBVOCCJRWUIA-UHFFFAOYSA-N
MW466.40 g/mol
LogP6.42
Rot. Bonds5

About [2-nitro-4-(trifluoromethyl)phenyl]imino-triphenyl-λ5-phosphane

[2-nitro-4-(trifluoromethyl)phenyl]imino-triphenyl-λ5-phosphane (PubChem CID 4120894) has the molecular formula C25H18F3N2O2P and a molecular weight of 466.40 g/mol. Its IUPAC name is [2-nitro-4-(trifluoromethyl)phenyl]imino-triphenyl-λ5-phosphane.

Molecular Properties

Compound Name[2-nitro-4-(trifluoromethyl)phenyl]imino-triphenyl-λ5-phosphane
PubChem CID4120894
Molecular FormulaC25H18F3N2O2P
Molecular Weight466.40 g/mol
Exact Mass466.11
IUPAC Name[2-nitro-4-(trifluoromethyl)phenyl]imino-triphenyl-λ5-phosphane
SMILESO=[N+]([O-])c1cc(C(F)(F)F)ccc1N=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H18F3N2O2P/c26-25(27,28)19-16-17-23(24(18-19)30(31)32)29-33(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-18H
InChIKeyABZBVOCCJRWUIA-UHFFFAOYSA-N
XLogP6.42
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.40
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [2-nitro-4-(trifluoromethyl)phenyl]imino-triphenyl-λ5-phosphane 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

2-isocyanato-1-nitro-4-(trifluoromethyl)benzene
CID 169353904
2-nitro-1-[(E)-2-phenylethenyl]-4-(trifluoromethyl)benzene
CID 171364975
3-[[2-nitro-4-(trifluoromethyl)phenyl]diazenyl]-1H-indol-2-ol
CID 3559649
2-nitro-4-(trifluoromethyl)benzoic acid
CID 642096
ethane;1-methyl-2-nitro-4-(trifluoromethyl)benzene
CID 142902784
2-[N-benzyl-2-nitro-4-(trifluoromethyl)anilino]ethanol
CID 122176806
2-methyl-4-[[2-nitro-4-(trifluoromethyl)phenyl]diazenyl]benzene-1,3-diol
CID 136746762
2,4-ditert-butyl-6-[[2-nitro-4-(trifluoromethyl)phenyl]diazenyl]phenol
CID 135804131
1-nitro-2-(trifluoromethoxy)-4-(trifluoromethyl)benzene
CID 171028704
2-nitro-1-propan-2-yl-4-(trifluoromethyl)benzene
CID 20653714
N-[(E)-ethylideneamino]-2-nitro-4-(trifluoromethyl)aniline
CID 173369416
2-nitro-4-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 5165965

Frequently Asked Questions

What is the IUPAC name of [2-nitro-4-(trifluoromethyl)phenyl]imino-triphenyl-λ5-phosphane?
The IUPAC name of [2-nitro-4-(trifluoromethyl)phenyl]imino-triphenyl-λ5-phosphane (CID 4120894) is [2-nitro-4-(trifluoromethyl)phenyl]imino-triphenyl-λ5-phosphane.
What is the SMILES notation for [2-nitro-4-(trifluoromethyl)phenyl]imino-triphenyl-λ5-phosphane?
The canonical SMILES for [2-nitro-4-(trifluoromethyl)phenyl]imino-triphenyl-λ5-phosphane is O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-nitro-4-(trifluoromethyl)phenyl]imino-triphenyl-λ5-phosphane?
The InChIKey is ABZBVOCCJRWUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N2O2P/c26-25(27,28)19-16-17-23(24(18-19)30(31)32)29-33(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-18H.
What are the key properties of [2-nitro-4-(trifluoromethyl)phenyl]imino-triphenyl-λ5-phosphane?
[2-nitro-4-(trifluoromethyl)phenyl]imino-triphenyl-λ5-phosphane has a molecular weight of 466.40 g/mol, XLogP of 6.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-nitro-4-(trifluoromethyl)phenyl]imino-triphenyl-λ5-phosphane is sourced from PubChem (CID 4120894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).