6-phenyl-4-phenylsulfanyl-3-pyridin-2-ylpyridazine

C21H15N3S — CID 86079542

IUPAC6-phenyl-4-phenylsulfanyl-3-pyridin-2-ylpyridazine
SMILESc1ccc(Sc2cc(-c3ccccc3)nnc2-c2ccccn2)cc1
InChIInChI=1S/C21H15N3S/c1-3-9-16(10-4-1)19-15-20(25-17-11-5-2-6-12-17)21(24-23-19)18-13-7-8-14-22-18/h1-15H
InChIKeyRKEIYFUDGJYULB-UHFFFAOYSA-N
MW341.44 g/mol
LogP5.36
Rot. Bonds4

About 6-phenyl-4-phenylsulfanyl-3-pyridin-2-ylpyridazine

6-phenyl-4-phenylsulfanyl-3-pyridin-2-ylpyridazine (PubChem CID 86079542) has the molecular formula C21H15N3S and a molecular weight of 341.44 g/mol. Its IUPAC name is 6-phenyl-4-phenylsulfanyl-3-pyridin-2-ylpyridazine.

Molecular Properties

Compound Name6-phenyl-4-phenylsulfanyl-3-pyridin-2-ylpyridazine
PubChem CID86079542
Molecular FormulaC21H15N3S
Molecular Weight341.44 g/mol
Exact Mass341.10
IUPAC Name6-phenyl-4-phenylsulfanyl-3-pyridin-2-ylpyridazine
SMILESc1ccc(Sc2cc(-c3ccccc3)nnc2-c2ccccn2)cc1
InChIInChI=1S/C21H15N3S/c1-3-9-16(10-4-1)19-15-20(25-17-11-5-2-6-12-17)21(24-23-19)18-13-7-8-14-22-18/h1-15H
InChIKeyRKEIYFUDGJYULB-UHFFFAOYSA-N
XLogP5.36
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.44
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methylsulfanyl-3,6-diphenylpyridazine
CID 135021385
2-(4-methyl-2-phenylsulfanylphenyl)pyridine
CID 122394964
2-(5-methyl-2-phenylsulfanylphenyl)pyridine
CID 102335497
hydrazine;2-phenylpyridine
CID 158673997
3,6-diphenyl-2-pyridin-2-ylpyridine
CID 11652473
iridium(3+);2-phenyl-6-pyridin-2-ylpyridine
CID 159332179
6-phenyl-3-pyridin-2-yl-1,2,4-triazine
CID 6405118
4-benzyl-3,6-dipyridin-2-ylpyridazine
CID 132577194
4-(3,5-dipyridin-2-ylphenyl)-2-phenyl-6-pyridin-2-ylpyridine
CID 23528039
5,8,13,16-tetrapyridin-2-yl-6,7,14,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene
CID 101424910
2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
4,6-diphenyl-2-pyridin-2-ylpyrimidine;ethane
CID 145283767

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-4-phenylsulfanyl-3-pyridin-2-ylpyridazine?
The IUPAC name of 6-phenyl-4-phenylsulfanyl-3-pyridin-2-ylpyridazine (CID 86079542) is 6-phenyl-4-phenylsulfanyl-3-pyridin-2-ylpyridazine.
What is the SMILES notation for 6-phenyl-4-phenylsulfanyl-3-pyridin-2-ylpyridazine?
The canonical SMILES for 6-phenyl-4-phenylsulfanyl-3-pyridin-2-ylpyridazine is c1ccc(Sc2cc(-c3ccccc3)nnc2-c2ccccn2)cc1.
What is the InChIKey of 6-phenyl-4-phenylsulfanyl-3-pyridin-2-ylpyridazine?
The InChIKey is RKEIYFUDGJYULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3S/c1-3-9-16(10-4-1)19-15-20(25-17-11-5-2-6-12-17)21(24-23-19)18-13-7-8-14-22-18/h1-15H.
What are the key properties of 6-phenyl-4-phenylsulfanyl-3-pyridin-2-ylpyridazine?
6-phenyl-4-phenylsulfanyl-3-pyridin-2-ylpyridazine has a molecular weight of 341.44 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-4-phenylsulfanyl-3-pyridin-2-ylpyridazine is sourced from PubChem (CID 86079542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).