6-heptylsulfanyl-3,4-diphenylpyridazine

C23H26N2S — CID 11035840

IUPAC6-heptylsulfanyl-3,4-diphenylpyridazine
SMILESCCCCCCCSc1cc(-c2ccccc2)c(-c2ccccc2)nn1
InChIInChI=1S/C23H26N2S/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
InChIKeySLDHVILOEARTJZ-UHFFFAOYSA-N
MW362.54 g/mol
LogP6.87
Rot. Bonds9

About 6-heptylsulfanyl-3,4-diphenylpyridazine

6-heptylsulfanyl-3,4-diphenylpyridazine (PubChem CID 11035840) has the molecular formula C23H26N2S and a molecular weight of 362.54 g/mol. Its IUPAC name is 6-heptylsulfanyl-3,4-diphenylpyridazine.

Molecular Properties

Compound Name6-heptylsulfanyl-3,4-diphenylpyridazine
PubChem CID11035840
Molecular FormulaC23H26N2S
Molecular Weight362.54 g/mol
Exact Mass362.18
IUPAC Name6-heptylsulfanyl-3,4-diphenylpyridazine
SMILESCCCCCCCSc1cc(-c2ccccc2)c(-c2ccccc2)nn1
InChIInChI=1S/C23H26N2S/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
InChIKeySLDHVILOEARTJZ-UHFFFAOYSA-N
XLogP6.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.54
LogP ≤ 56.87
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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Related Compounds

7-(5,6-diphenylpyridazin-3-yl)sulfanylheptanoic acid
CID 10949227
N-hexyl-5,6-diphenylpyridazin-3-amine
CID 11110352
6-octylsulfinyl-3,4-diphenylpyridazine
CID 10971237
3-hexylsulfanyl-6-phenyl-4H-1,2,4-triazin-5-one
CID 135629888
4-amino-3-hexylsulfanyl-6-phenyl-1,2,4-triazin-5-one
CID 21422679
N-(4-heptylphenyl)-5,6-diphenylpyridazin-3-amine
CID 10971868
2-dodecylsulfanyl-5-phenyl-1,3,4-oxadiazole
CID 54590696
3-(dodecyldisulfanyl)-5,6-diphenyl-1,2,4-triazine
CID 134612536
2-hexyl-5,6-diphenylpyridazin-3-one
CID 10882161
1,1'-biphenyl;hexadecane
CID 173308514
nickel;octylsulfanylbenzene
CID 157277722
6-methyl-3,4-diphenylpyridazine
CID 6411990

Frequently Asked Questions

What is the IUPAC name of 6-heptylsulfanyl-3,4-diphenylpyridazine?
The IUPAC name of 6-heptylsulfanyl-3,4-diphenylpyridazine (CID 11035840) is 6-heptylsulfanyl-3,4-diphenylpyridazine.
What is the SMILES notation for 6-heptylsulfanyl-3,4-diphenylpyridazine?
The canonical SMILES for 6-heptylsulfanyl-3,4-diphenylpyridazine is CCCCCCCSc1cc(-c2ccccc2)c(-c2ccccc2)nn1.
What is the InChIKey of 6-heptylsulfanyl-3,4-diphenylpyridazine?
The InChIKey is SLDHVILOEARTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2S/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-heptylsulfanyl-3,4-diphenylpyridazine?
6-heptylsulfanyl-3,4-diphenylpyridazine has a molecular weight of 362.54 g/mol, XLogP of 6.87, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-heptylsulfanyl-3,4-diphenylpyridazine is sourced from PubChem (CID 11035840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).