6-heptoxy-3,4-diphenylpyridazine

C23H26N2O — CID 11110783

IUPAC6-heptoxy-3,4-diphenylpyridazine
SMILESCCCCCCCOc1cc(-c2ccccc2)c(-c2ccccc2)nn1
InChIInChI=1S/C23H26N2O/c1-2-3-4-5-12-17-26-22-18-21(19-13-8-6-9-14-19)23(25-24-22)20-15-10-7-11-16-20/h6-11,13-16,18H,2-5,12,17H2,1H3
InChIKeyFJKZMKNTZNZIGI-UHFFFAOYSA-N
MW346.47 g/mol
LogP6.16
Rot. Bonds9

About 6-heptoxy-3,4-diphenylpyridazine

6-heptoxy-3,4-diphenylpyridazine (PubChem CID 11110783) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is 6-heptoxy-3,4-diphenylpyridazine.

Molecular Properties

Compound Name6-heptoxy-3,4-diphenylpyridazine
PubChem CID11110783
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name6-heptoxy-3,4-diphenylpyridazine
SMILESCCCCCCCOc1cc(-c2ccccc2)c(-c2ccccc2)nn1
InChIInChI=1S/C23H26N2O/c1-2-3-4-5-12-17-26-22-18-21(19-13-8-6-9-14-19)23(25-24-22)20-15-10-7-11-16-20/h6-11,13-16,18H,2-5,12,17H2,1H3
InChIKeyFJKZMKNTZNZIGI-UHFFFAOYSA-N
XLogP6.16
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 56.16
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-heptoxy-3,4-diphenylpyridazine?
The IUPAC name of 6-heptoxy-3,4-diphenylpyridazine (CID 11110783) is 6-heptoxy-3,4-diphenylpyridazine.
What is the SMILES notation for 6-heptoxy-3,4-diphenylpyridazine?
The canonical SMILES for 6-heptoxy-3,4-diphenylpyridazine is CCCCCCCOc1cc(-c2ccccc2)c(-c2ccccc2)nn1.
What is the InChIKey of 6-heptoxy-3,4-diphenylpyridazine?
The InChIKey is FJKZMKNTZNZIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-2-3-4-5-12-17-26-22-18-21(19-13-8-6-9-14-19)23(25-24-22)20-15-10-7-11-16-20/h6-11,13-16,18H,2-5,12,17H2,1H3.
What are the key properties of 6-heptoxy-3,4-diphenylpyridazine?
6-heptoxy-3,4-diphenylpyridazine has a molecular weight of 346.47 g/mol, XLogP of 6.16, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-heptoxy-3,4-diphenylpyridazine is sourced from PubChem (CID 11110783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).