N,N'-diphenylethane-1,2-diimine

C14H12N2 — CID 11988454

IUPACN,N'-diphenylethane-1,2-diimine
SMILESC(/C=N/c1ccccc1)=N\c1ccccc1
InChIInChI=1S/C14H12N2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-12H/b15-11+,16-12+
InChIKeyQAHVEIHCWHKZET-JOBJLJCHSA-N
MW208.26 g/mol
LogP3.79
Rot. Bonds3

About N,N'-diphenylethane-1,2-diimine

N,N'-diphenylethane-1,2-diimine (PubChem CID 11988454) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is N,N'-diphenylethane-1,2-diimine.

Molecular Properties

Compound NameN,N'-diphenylethane-1,2-diimine
PubChem CID11988454
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC NameN,N'-diphenylethane-1,2-diimine
SMILESC(/C=N/c1ccccc1)=N\c1ccccc1
InChIInChI=1S/C14H12N2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-12H/b15-11+,16-12+
InChIKeyQAHVEIHCWHKZET-JOBJLJCHSA-N
XLogP3.79
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-diphenylethane-1,2-diimine?
The IUPAC name of N,N'-diphenylethane-1,2-diimine (CID 11988454) is N,N'-diphenylethane-1,2-diimine.
What is the SMILES notation for N,N'-diphenylethane-1,2-diimine?
The canonical SMILES for N,N'-diphenylethane-1,2-diimine is C(/C=N/c1ccccc1)=N\c1ccccc1.
What is the InChIKey of N,N'-diphenylethane-1,2-diimine?
The InChIKey is QAHVEIHCWHKZET-JOBJLJCHSA-N. The full InChI is InChI=1S/C14H12N2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-12H/b15-11+,16-12+.
What are the key properties of N,N'-diphenylethane-1,2-diimine?
N,N'-diphenylethane-1,2-diimine has a molecular weight of 208.26 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diphenylethane-1,2-diimine is sourced from PubChem (CID 11988454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).