1,2-diphenylethene-1,2-diamine;sulfuric acid

C14H16N2O4S — CID 70255418

IUPAC1,2-diphenylethene-1,2-diamine;sulfuric acid
SMILESNC(=C(N)c1ccccc1)c1ccccc1.O=S(=O)(O)O
InChIInChI=1S/C14H14N2.H2O4S/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-5(2,3)4/h1-10H,15-16H2;(H2,1,2,3,4)
InChIKeyMXHKKCUGYLPFQI-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.78
Rot. Bonds2

About 1,2-diphenylethene-1,2-diamine;sulfuric acid

1,2-diphenylethene-1,2-diamine;sulfuric acid (PubChem CID 70255418) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 1,2-diphenylethene-1,2-diamine;sulfuric acid.

Molecular Properties

Compound Name1,2-diphenylethene-1,2-diamine;sulfuric acid
PubChem CID70255418
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name1,2-diphenylethene-1,2-diamine;sulfuric acid
SMILESNC(=C(N)c1ccccc1)c1ccccc1.O=S(=O)(O)O
InChIInChI=1S/C14H14N2.H2O4S/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-5(2,3)4/h1-10H,15-16H2;(H2,1,2,3,4)
InChIKeyMXHKKCUGYLPFQI-UHFFFAOYSA-N
XLogP1.78
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 1,2-diphenylethene-1,2-diamine;sulfuric acid 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

dichloroplatinum;1,2-diphenylethene-1,2-diamine
CID 88758515
benzene;sulfuric acid
CID 19962519
benzene;sulfuric acid
CID 160829970
azulene;sulfuric acid
CID 172847947
benzoic acid;methane;naphthalene;sulfuric acid
CID 70453655
3-amino-3-oxo-2-phenylprop-1-ene-1-sulfonic acid
CID 141302392
naphthalene;sulfuric acid
CID 69493753
benzamide;hydron
CID 68819060
iodobenzene;sulfuric acid
CID 174810699
CID 67738089
CID 67738089
phenylmethanediamine;sulfuric acid
CID 173298028
2-[amino(phenyl)methylidene]propane-1,3-diol
CID 67517507

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenylethene-1,2-diamine;sulfuric acid?
The IUPAC name of 1,2-diphenylethene-1,2-diamine;sulfuric acid (CID 70255418) is 1,2-diphenylethene-1,2-diamine;sulfuric acid.
What is the SMILES notation for 1,2-diphenylethene-1,2-diamine;sulfuric acid?
The canonical SMILES for 1,2-diphenylethene-1,2-diamine;sulfuric acid is NC(=C(N)c1ccccc1)c1ccccc1.O=S(=O)(O)O.
What is the InChIKey of 1,2-diphenylethene-1,2-diamine;sulfuric acid?
The InChIKey is MXHKKCUGYLPFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2.H2O4S/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-5(2,3)4/h1-10H,15-16H2;(H2,1,2,3,4).
What are the key properties of 1,2-diphenylethene-1,2-diamine;sulfuric acid?
1,2-diphenylethene-1,2-diamine;sulfuric acid has a molecular weight of 308.36 g/mol, XLogP of 1.78, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenylethene-1,2-diamine;sulfuric acid is sourced from PubChem (CID 70255418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).