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

C26H17N5O — CID 58251220

IUPAC10-[3,5-di(pyrimidin-5-yl)phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(-c2cncnc2)cc(-c2cncnc2)c1
InChIInChI=1S/C26H17N5O/c1-3-7-25-23(5-1)31(24-6-2-4-8-26(24)32-25)22-10-18(20-12-27-16-28-13-20)9-19(11-22)21-14-29-17-30-15-21/h1-17H
InChIKeyRARUOKZZILQXIE-UHFFFAOYSA-N
MW415.46 g/mol
LogP6.18
Rot. Bonds3

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

10-[3,5-di(pyrimidin-5-yl)phenyl]phenoxazine (PubChem CID 58251220) has the molecular formula C26H17N5O and a molecular weight of 415.46 g/mol. Its IUPAC name is 10-[3,5-di(pyrimidin-5-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[3,5-di(pyrimidin-5-yl)phenyl]phenoxazine
PubChem CID58251220
Molecular FormulaC26H17N5O
Molecular Weight415.46 g/mol
Exact Mass415.14
IUPAC Name10-[3,5-di(pyrimidin-5-yl)phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(-c2cncnc2)cc(-c2cncnc2)c1
InChIInChI=1S/C26H17N5O/c1-3-7-25-23(5-1)31(24-6-2-4-8-26(24)32-25)22-10-18(20-12-27-16-28-13-20)9-19(11-22)21-14-29-17-30-15-21/h1-17H
InChIKeyRARUOKZZILQXIE-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(pyrimidin-5-yl)phenyl]phenoxazine?
The IUPAC name of 10-[3,5-di(pyrimidin-5-yl)phenyl]phenoxazine (CID 58251220) is 10-[3,5-di(pyrimidin-5-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[3,5-di(pyrimidin-5-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[3,5-di(pyrimidin-5-yl)phenyl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2cncnc2)cc(-c2cncnc2)c1.
What is the InChIKey of 10-[3,5-di(pyrimidin-5-yl)phenyl]phenoxazine?
The InChIKey is RARUOKZZILQXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N5O/c1-3-7-25-23(5-1)31(24-6-2-4-8-26(24)32-25)22-10-18(20-12-27-16-28-13-20)9-19(11-22)21-14-29-17-30-15-21/h1-17H.
What are the key properties of 10-[3,5-di(pyrimidin-5-yl)phenyl]phenoxazine?
10-[3,5-di(pyrimidin-5-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(pyrimidin-5-yl)phenyl]phenoxazine is sourced from PubChem (CID 58251220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).