1,1-diphenylethyl-[1-(2-fluoro-4-pyridinyl)ethyl]diazene

C21H20FN3 — CID 123354235

IUPAC1,1-diphenylethyl-[1-(2-fluoro-4-pyridinyl)ethyl]diazene
SMILESCC(/N=N/C(C)(c1ccccc1)c1ccccc1)c1ccnc(F)c1
InChIInChI=1S/C21H20FN3/c1-16(17-13-14-23-20(22)15-17)24-25-21(2,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16H,1-2H3/b25-24+
InChIKeyTXJCJJZFJDOZMJ-OCOZRVBESA-N
MW333.41 g/mol
LogP5.70
Rot. Bonds5

About 1,1-diphenylethyl-[1-(2-fluoro-4-pyridinyl)ethyl]diazene

1,1-diphenylethyl-[1-(2-fluoro-4-pyridinyl)ethyl]diazene (PubChem CID 123354235) has the molecular formula C21H20FN3 and a molecular weight of 333.41 g/mol. Its IUPAC name is 1,1-diphenylethyl-[1-(2-fluoro-4-pyridinyl)ethyl]diazene.

Molecular Properties

Compound Name1,1-diphenylethyl-[1-(2-fluoro-4-pyridinyl)ethyl]diazene
PubChem CID123354235
Molecular FormulaC21H20FN3
Molecular Weight333.41 g/mol
Exact Mass333.16
IUPAC Name1,1-diphenylethyl-[1-(2-fluoro-4-pyridinyl)ethyl]diazene
SMILESCC(/N=N/C(C)(c1ccccc1)c1ccccc1)c1ccnc(F)c1
InChIInChI=1S/C21H20FN3/c1-16(17-13-14-23-20(22)15-17)24-25-21(2,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16H,1-2H3/b25-24+
InChIKeyTXJCJJZFJDOZMJ-OCOZRVBESA-N
XLogP5.70
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.41
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 1,1-diphenylethyl-[1-(2-fluoro-4-pyridinyl)ethyl]diazene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenylethyl-[1-(2-fluoro-4-pyridinyl)ethyl]diazene?
The IUPAC name of 1,1-diphenylethyl-[1-(2-fluoro-4-pyridinyl)ethyl]diazene (CID 123354235) is 1,1-diphenylethyl-[1-(2-fluoro-4-pyridinyl)ethyl]diazene.
What is the SMILES notation for 1,1-diphenylethyl-[1-(2-fluoro-4-pyridinyl)ethyl]diazene?
The canonical SMILES for 1,1-diphenylethyl-[1-(2-fluoro-4-pyridinyl)ethyl]diazene is CC(/N=N/C(C)(c1ccccc1)c1ccccc1)c1ccnc(F)c1.
What is the InChIKey of 1,1-diphenylethyl-[1-(2-fluoro-4-pyridinyl)ethyl]diazene?
The InChIKey is TXJCJJZFJDOZMJ-OCOZRVBESA-N. The full InChI is InChI=1S/C21H20FN3/c1-16(17-13-14-23-20(22)15-17)24-25-21(2,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16H,1-2H3/b25-24+.
What are the key properties of 1,1-diphenylethyl-[1-(2-fluoro-4-pyridinyl)ethyl]diazene?
1,1-diphenylethyl-[1-(2-fluoro-4-pyridinyl)ethyl]diazene has a molecular weight of 333.41 g/mol, XLogP of 5.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenylethyl-[1-(2-fluoro-4-pyridinyl)ethyl]diazene is sourced from PubChem (CID 123354235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).