5-diazocyclohexa-1,3-diene;perylene

C26H18N2 — CID 175154299

IUPAC5-diazocyclohexa-1,3-diene;perylene
SMILES[N-]=[N+]=C1C=CC=CC1.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54
InChIInChI=1S/C20H12.C6H6N2/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;7-8-6-4-2-1-3-5-6/h1-12H;1-4H,5H2
InChIKeyFAUYXEAAMLYETG-UHFFFAOYSA-N
MW358.44 g/mol
LogP6.91
Rot. Bonds

About 5-diazocyclohexa-1,3-diene;perylene

5-diazocyclohexa-1,3-diene;perylene (PubChem CID 175154299) has the molecular formula C26H18N2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 5-diazocyclohexa-1,3-diene;perylene.

Molecular Properties

Compound Name5-diazocyclohexa-1,3-diene;perylene
PubChem CID175154299
Molecular FormulaC26H18N2
Molecular Weight358.44 g/mol
Exact Mass358.15
IUPAC Name5-diazocyclohexa-1,3-diene;perylene
SMILES[N-]=[N+]=C1C=CC=CC1.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54
InChIInChI=1S/C20H12.C6H6N2/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;7-8-6-4-2-1-3-5-6/h1-12H;1-4H,5H2
InChIKeyFAUYXEAAMLYETG-UHFFFAOYSA-N
XLogP6.91
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 56.91
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': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-diazocyclohexa-1,3-diene;perylene?
The IUPAC name of 5-diazocyclohexa-1,3-diene;perylene (CID 175154299) is 5-diazocyclohexa-1,3-diene;perylene.
What is the SMILES notation for 5-diazocyclohexa-1,3-diene;perylene?
The canonical SMILES for 5-diazocyclohexa-1,3-diene;perylene is [N-]=[N+]=C1C=CC=CC1.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54.
What is the InChIKey of 5-diazocyclohexa-1,3-diene;perylene?
The InChIKey is FAUYXEAAMLYETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12.C6H6N2/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;7-8-6-4-2-1-3-5-6/h1-12H;1-4H,5H2.
What are the key properties of 5-diazocyclohexa-1,3-diene;perylene?
5-diazocyclohexa-1,3-diene;perylene has a molecular weight of 358.44 g/mol, XLogP of 6.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diazocyclohexa-1,3-diene;perylene is sourced from PubChem (CID 175154299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).