6-octoxy-3,4-diphenylpyridazine

C24H28N2O — CID 11121964

IUPAC6-octoxy-3,4-diphenylpyridazine
SMILESCCCCCCCCOc1cc(-c2ccccc2)c(-c2ccccc2)nn1
InChIInChI=1S/C24H28N2O/c1-2-3-4-5-6-13-18-27-23-19-22(20-14-9-7-10-15-20)24(26-25-23)21-16-11-8-12-17-21/h7-12,14-17,19H,2-6,13,18H2,1H3
InChIKeyMRVWSOCNTVSLLP-UHFFFAOYSA-N
MW360.50 g/mol
LogP6.55
Rot. Bonds10

About 6-octoxy-3,4-diphenylpyridazine

6-octoxy-3,4-diphenylpyridazine (PubChem CID 11121964) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is 6-octoxy-3,4-diphenylpyridazine.

Molecular Properties

Compound Name6-octoxy-3,4-diphenylpyridazine
PubChem CID11121964
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Name6-octoxy-3,4-diphenylpyridazine
SMILESCCCCCCCCOc1cc(-c2ccccc2)c(-c2ccccc2)nn1
InChIInChI=1S/C24H28N2O/c1-2-3-4-5-6-13-18-27-23-19-22(20-14-9-7-10-15-20)24(26-25-23)21-16-11-8-12-17-21/h7-12,14-17,19H,2-6,13,18H2,1H3
InChIKeyMRVWSOCNTVSLLP-UHFFFAOYSA-N
XLogP6.55
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-octoxy-3,4-diphenylpyridazine?
The IUPAC name of 6-octoxy-3,4-diphenylpyridazine (CID 11121964) is 6-octoxy-3,4-diphenylpyridazine.
What is the SMILES notation for 6-octoxy-3,4-diphenylpyridazine?
The canonical SMILES for 6-octoxy-3,4-diphenylpyridazine is CCCCCCCCOc1cc(-c2ccccc2)c(-c2ccccc2)nn1.
What is the InChIKey of 6-octoxy-3,4-diphenylpyridazine?
The InChIKey is MRVWSOCNTVSLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O/c1-2-3-4-5-6-13-18-27-23-19-22(20-14-9-7-10-15-20)24(26-25-23)21-16-11-8-12-17-21/h7-12,14-17,19H,2-6,13,18H2,1H3.
What are the key properties of 6-octoxy-3,4-diphenylpyridazine?
6-octoxy-3,4-diphenylpyridazine has a molecular weight of 360.50 g/mol, XLogP of 6.55, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-octoxy-3,4-diphenylpyridazine is sourced from PubChem (CID 11121964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).