10-[3,5-di(pyridazin-3-yl)phenyl]phenoxazine

C26H17N5O — CID 58251188

IUPAC10-[3,5-di(pyridazin-3-yl)phenyl]phenoxazine
SMILESc1cnnc(-c2cc(-c3cccnn3)cc(N3c4ccccc4Oc4ccccc43)c2)c1
InChIInChI=1S/C26H17N5O/c1-3-11-25-23(9-1)31(24-10-2-4-12-26(24)32-25)20-16-18(21-7-5-13-27-29-21)15-19(17-20)22-8-6-14-28-30-22/h1-17H
InChIKeyFBMIRJXDAAWJHJ-UHFFFAOYSA-N
MW415.46 g/mol
LogP6.18
Rot. Bonds3

About 10-[3,5-di(pyridazin-3-yl)phenyl]phenoxazine

10-[3,5-di(pyridazin-3-yl)phenyl]phenoxazine (PubChem CID 58251188) has the molecular formula C26H17N5O and a molecular weight of 415.46 g/mol. Its IUPAC name is 10-[3,5-di(pyridazin-3-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[3,5-di(pyridazin-3-yl)phenyl]phenoxazine
PubChem CID58251188
Molecular FormulaC26H17N5O
Molecular Weight415.46 g/mol
Exact Mass415.14
IUPAC Name10-[3,5-di(pyridazin-3-yl)phenyl]phenoxazine
SMILESc1cnnc(-c2cc(-c3cccnn3)cc(N3c4ccccc4Oc4ccccc43)c2)c1
InChIInChI=1S/C26H17N5O/c1-3-11-25-23(9-1)31(24-10-2-4-12-26(24)32-25)20-16-18(21-7-5-13-27-29-21)15-19(17-20)22-8-6-14-28-30-22/h1-17H
InChIKeyFBMIRJXDAAWJHJ-UHFFFAOYSA-N
XLogP6.18
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.46
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10-[3,5-di(pyridazin-3-yl)phenyl]phenoxazine?
The IUPAC name of 10-[3,5-di(pyridazin-3-yl)phenyl]phenoxazine (CID 58251188) is 10-[3,5-di(pyridazin-3-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[3,5-di(pyridazin-3-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[3,5-di(pyridazin-3-yl)phenyl]phenoxazine is c1cnnc(-c2cc(-c3cccnn3)cc(N3c4ccccc4Oc4ccccc43)c2)c1.
What is the InChIKey of 10-[3,5-di(pyridazin-3-yl)phenyl]phenoxazine?
The InChIKey is FBMIRJXDAAWJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N5O/c1-3-11-25-23(9-1)31(24-10-2-4-12-26(24)32-25)20-16-18(21-7-5-13-27-29-21)15-19(17-20)22-8-6-14-28-30-22/h1-17H.
What are the key properties of 10-[3,5-di(pyridazin-3-yl)phenyl]phenoxazine?
10-[3,5-di(pyridazin-3-yl)phenyl]phenoxazine has a molecular weight of 415.46 g/mol, XLogP of 6.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3,5-di(pyridazin-3-yl)phenyl]phenoxazine is sourced from PubChem (CID 58251188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).