6-nonylsulfanyl-3,4-diphenylpyridazine

C25H30N2S — CID 11047427

IUPAC6-nonylsulfanyl-3,4-diphenylpyridazine
SMILESCCCCCCCCCSc1cc(-c2ccccc2)c(-c2ccccc2)nn1
InChIInChI=1S/C25H30N2S/c1-2-3-4-5-6-7-14-19-28-24-20-23(21-15-10-8-11-16-21)25(27-26-24)22-17-12-9-13-18-22/h8-13,15-18,20H,2-7,14,19H2,1H3
InChIKeyQNZPVBGJYVIDTC-UHFFFAOYSA-N
MW390.60 g/mol
LogP7.65
Rot. Bonds11

About 6-nonylsulfanyl-3,4-diphenylpyridazine

6-nonylsulfanyl-3,4-diphenylpyridazine (PubChem CID 11047427) has the molecular formula C25H30N2S and a molecular weight of 390.60 g/mol. Its IUPAC name is 6-nonylsulfanyl-3,4-diphenylpyridazine.

Molecular Properties

Compound Name6-nonylsulfanyl-3,4-diphenylpyridazine
PubChem CID11047427
Molecular FormulaC25H30N2S
Molecular Weight390.60 g/mol
Exact Mass390.21
IUPAC Name6-nonylsulfanyl-3,4-diphenylpyridazine
SMILESCCCCCCCCCSc1cc(-c2ccccc2)c(-c2ccccc2)nn1
InChIInChI=1S/C25H30N2S/c1-2-3-4-5-6-7-14-19-28-24-20-23(21-15-10-8-11-16-21)25(27-26-24)22-17-12-9-13-18-22/h8-13,15-18,20H,2-7,14,19H2,1H3
InChIKeyQNZPVBGJYVIDTC-UHFFFAOYSA-N
XLogP7.65
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.60
LogP ≤ 57.65
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-nonylsulfanyl-3,4-diphenylpyridazine?
The IUPAC name of 6-nonylsulfanyl-3,4-diphenylpyridazine (CID 11047427) is 6-nonylsulfanyl-3,4-diphenylpyridazine.
What is the SMILES notation for 6-nonylsulfanyl-3,4-diphenylpyridazine?
The canonical SMILES for 6-nonylsulfanyl-3,4-diphenylpyridazine is CCCCCCCCCSc1cc(-c2ccccc2)c(-c2ccccc2)nn1.
What is the InChIKey of 6-nonylsulfanyl-3,4-diphenylpyridazine?
The InChIKey is QNZPVBGJYVIDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2S/c1-2-3-4-5-6-7-14-19-28-24-20-23(21-15-10-8-11-16-21)25(27-26-24)22-17-12-9-13-18-22/h8-13,15-18,20H,2-7,14,19H2,1H3.
What are the key properties of 6-nonylsulfanyl-3,4-diphenylpyridazine?
6-nonylsulfanyl-3,4-diphenylpyridazine has a molecular weight of 390.60 g/mol, XLogP of 7.65, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nonylsulfanyl-3,4-diphenylpyridazine is sourced from PubChem (CID 11047427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).