3,4,6-triphenylpyridazine

C22H16N2 — CID 6323877

IUPAC3,4,6-triphenylpyridazine
SMILESc1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)nn2)cc1
InChIInChI=1S/C22H16N2/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)23-24-22(20)19-14-8-3-9-15-19/h1-16H
InChIKeyVHEZKLJOVNSLCJ-UHFFFAOYSA-N
MW308.38 g/mol
LogP5.48
Rot. Bonds3

About 3,4,6-triphenylpyridazine

3,4,6-triphenylpyridazine (PubChem CID 6323877) has the molecular formula C22H16N2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3,4,6-triphenylpyridazine.

Molecular Properties

Compound Name3,4,6-triphenylpyridazine
PubChem CID6323877
Molecular FormulaC22H16N2
Molecular Weight308.38 g/mol
Exact Mass308.13
IUPAC Name3,4,6-triphenylpyridazine
SMILESc1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)nn2)cc1
InChIInChI=1S/C22H16N2/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)23-24-22(20)19-14-8-3-9-15-19/h1-16H
InChIKeyVHEZKLJOVNSLCJ-UHFFFAOYSA-N
XLogP5.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.38
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,6-triphenylpyridazine?
The IUPAC name of 3,4,6-triphenylpyridazine (CID 6323877) is 3,4,6-triphenylpyridazine.
What is the SMILES notation for 3,4,6-triphenylpyridazine?
The canonical SMILES for 3,4,6-triphenylpyridazine is c1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)nn2)cc1.
What is the InChIKey of 3,4,6-triphenylpyridazine?
The InChIKey is VHEZKLJOVNSLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)23-24-22(20)19-14-8-3-9-15-19/h1-16H.
What are the key properties of 3,4,6-triphenylpyridazine?
3,4,6-triphenylpyridazine has a molecular weight of 308.38 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-triphenylpyridazine is sourced from PubChem (CID 6323877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).