5-diazo-1-[[1-[(5-diazocyclohexa-1,3-dien-1-yl)methyl]cyclohexa-2,4-dien-1-yl]methyl]cyclohexa-1,3-diene

C20H20N4 — CID 87858650

IUPAC5-diazo-1-[[1-[(5-diazocyclohexa-1,3-dien-1-yl)methyl]cyclohexa-2,4-dien-1-yl]methyl]cyclohexa-1,3-diene
SMILES[N-]=[N+]=C1C=CC=C(CC2(CC3=CC=CC(=[N+]=[N-])C3)C=CC=CC2)C1
InChIInChI=1S/C20H20N4/c21-23-18-8-4-6-16(12-18)14-20(10-2-1-3-11-20)15-17-7-5-9-19(13-17)24-22/h1-10H,11-15H2
InChIKeyGVGWKECBFSAUFG-UHFFFAOYSA-N
MW316.41 g/mol
LogP4.38
Rot. Bonds4

About 5-diazo-1-[[1-[(5-diazocyclohexa-1,3-dien-1-yl)methyl]cyclohexa-2,4-dien-1-yl]methyl]cyclohexa-1,3-diene

5-diazo-1-[[1-[(5-diazocyclohexa-1,3-dien-1-yl)methyl]cyclohexa-2,4-dien-1-yl]methyl]cyclohexa-1,3-diene (PubChem CID 87858650) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is 5-diazo-1-[[1-[(5-diazocyclohexa-1,3-dien-1-yl)methyl]cyclohexa-2,4-dien-1-yl]methyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-diazo-1-[[1-[(5-diazocyclohexa-1,3-dien-1-yl)methyl]cyclohexa-2,4-dien-1-yl]methyl]cyclohexa-1,3-diene
PubChem CID87858650
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC Name5-diazo-1-[[1-[(5-diazocyclohexa-1,3-dien-1-yl)methyl]cyclohexa-2,4-dien-1-yl]methyl]cyclohexa-1,3-diene
SMILES[N-]=[N+]=C1C=CC=C(CC2(CC3=CC=CC(=[N+]=[N-])C3)C=CC=CC2)C1
InChIInChI=1S/C20H20N4/c21-23-18-8-4-6-16(12-18)14-20(10-2-1-3-11-20)15-17-7-5-9-19(13-17)24-22/h1-10H,11-15H2
InChIKeyGVGWKECBFSAUFG-UHFFFAOYSA-N
XLogP4.38
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 5-diazo-1-[[1-[(5-diazocyclohexa-1,3-dien-1-yl)methyl]cyclohexa-2,4-dien-1-yl]methyl]cyclohexa-1,3-diene 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 5-diazo-1-[[1-[(5-diazocyclohexa-1,3-dien-1-yl)methyl]cyclohexa-2,4-dien-1-yl]methyl]cyclohexa-1,3-diene?
The IUPAC name of 5-diazo-1-[[1-[(5-diazocyclohexa-1,3-dien-1-yl)methyl]cyclohexa-2,4-dien-1-yl]methyl]cyclohexa-1,3-diene (CID 87858650) is 5-diazo-1-[[1-[(5-diazocyclohexa-1,3-dien-1-yl)methyl]cyclohexa-2,4-dien-1-yl]methyl]cyclohexa-1,3-diene.
What is the SMILES notation for 5-diazo-1-[[1-[(5-diazocyclohexa-1,3-dien-1-yl)methyl]cyclohexa-2,4-dien-1-yl]methyl]cyclohexa-1,3-diene?
The canonical SMILES for 5-diazo-1-[[1-[(5-diazocyclohexa-1,3-dien-1-yl)methyl]cyclohexa-2,4-dien-1-yl]methyl]cyclohexa-1,3-diene is [N-]=[N+]=C1C=CC=C(CC2(CC3=CC=CC(=[N+]=[N-])C3)C=CC=CC2)C1.
What is the InChIKey of 5-diazo-1-[[1-[(5-diazocyclohexa-1,3-dien-1-yl)methyl]cyclohexa-2,4-dien-1-yl]methyl]cyclohexa-1,3-diene?
The InChIKey is GVGWKECBFSAUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4/c21-23-18-8-4-6-16(12-18)14-20(10-2-1-3-11-20)15-17-7-5-9-19(13-17)24-22/h1-10H,11-15H2.
What are the key properties of 5-diazo-1-[[1-[(5-diazocyclohexa-1,3-dien-1-yl)methyl]cyclohexa-2,4-dien-1-yl]methyl]cyclohexa-1,3-diene?
5-diazo-1-[[1-[(5-diazocyclohexa-1,3-dien-1-yl)methyl]cyclohexa-2,4-dien-1-yl]methyl]cyclohexa-1,3-diene has a molecular weight of 316.41 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diazo-1-[[1-[(5-diazocyclohexa-1,3-dien-1-yl)methyl]cyclohexa-2,4-dien-1-yl]methyl]cyclohexa-1,3-diene is sourced from PubChem (CID 87858650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).