6,6-dichloro-4-phenyldiazenylcyclohexa-2,4-diene-1,1-diamine

C12H12Cl2N4 — CID 54163261

IUPAC6,6-dichloro-4-phenyldiazenylcyclohexa-2,4-diene-1,1-diamine
SMILESNC1(N)C=CC(/N=N/c2ccccc2)=CC1(Cl)Cl
InChIInChI=1S/C12H12Cl2N4/c13-11(14)8-10(6-7-12(11,15)16)18-17-9-4-2-1-3-5-9/h1-8H,15-16H2/b18-17+
InChIKeyOPWXMUBNKDHDAC-ISLYRVAYSA-N
MW283.16 g/mol
LogP3.01
Rot. Bonds2

About 6,6-dichloro-4-phenyldiazenylcyclohexa-2,4-diene-1,1-diamine

6,6-dichloro-4-phenyldiazenylcyclohexa-2,4-diene-1,1-diamine (PubChem CID 54163261) has the molecular formula C12H12Cl2N4 and a molecular weight of 283.16 g/mol. Its IUPAC name is 6,6-dichloro-4-phenyldiazenylcyclohexa-2,4-diene-1,1-diamine.

Molecular Properties

Compound Name6,6-dichloro-4-phenyldiazenylcyclohexa-2,4-diene-1,1-diamine
PubChem CID54163261
Molecular FormulaC12H12Cl2N4
Molecular Weight283.16 g/mol
Exact Mass282.04
IUPAC Name6,6-dichloro-4-phenyldiazenylcyclohexa-2,4-diene-1,1-diamine
SMILESNC1(N)C=CC(/N=N/c2ccccc2)=CC1(Cl)Cl
InChIInChI=1S/C12H12Cl2N4/c13-11(14)8-10(6-7-12(11,15)16)18-17-9-4-2-1-3-5-9/h1-8H,15-16H2/b18-17+
InChIKeyOPWXMUBNKDHDAC-ISLYRVAYSA-N
XLogP3.01
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 6,6-dichloro-4-phenyldiazenylcyclohexa-2,4-diene-1,1-diamine 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 6,6-dichloro-4-phenyldiazenylcyclohexa-2,4-diene-1,1-diamine?
The IUPAC name of 6,6-dichloro-4-phenyldiazenylcyclohexa-2,4-diene-1,1-diamine (CID 54163261) is 6,6-dichloro-4-phenyldiazenylcyclohexa-2,4-diene-1,1-diamine.
What is the SMILES notation for 6,6-dichloro-4-phenyldiazenylcyclohexa-2,4-diene-1,1-diamine?
The canonical SMILES for 6,6-dichloro-4-phenyldiazenylcyclohexa-2,4-diene-1,1-diamine is NC1(N)C=CC(/N=N/c2ccccc2)=CC1(Cl)Cl.
What is the InChIKey of 6,6-dichloro-4-phenyldiazenylcyclohexa-2,4-diene-1,1-diamine?
The InChIKey is OPWXMUBNKDHDAC-ISLYRVAYSA-N. The full InChI is InChI=1S/C12H12Cl2N4/c13-11(14)8-10(6-7-12(11,15)16)18-17-9-4-2-1-3-5-9/h1-8H,15-16H2/b18-17+.
What are the key properties of 6,6-dichloro-4-phenyldiazenylcyclohexa-2,4-diene-1,1-diamine?
6,6-dichloro-4-phenyldiazenylcyclohexa-2,4-diene-1,1-diamine has a molecular weight of 283.16 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dichloro-4-phenyldiazenylcyclohexa-2,4-diene-1,1-diamine is sourced from PubChem (CID 54163261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).