10-[3,5-di(pyrimidin-2-yl)phenyl]phenoxazine

C26H17N5O — CID 58251203

IUPAC10-[3,5-di(pyrimidin-2-yl)phenyl]phenoxazine
SMILESc1cnc(-c2cc(-c3ncccn3)cc(N3c4ccccc4Oc4ccccc43)c2)nc1
InChIInChI=1S/C26H17N5O/c1-3-9-23-21(7-1)31(22-8-2-4-10-24(22)32-23)20-16-18(25-27-11-5-12-28-25)15-19(17-20)26-29-13-6-14-30-26/h1-17H
InChIKeyBJYOQGUHABUABU-UHFFFAOYSA-N
MW415.46 g/mol
LogP6.18
Rot. Bonds3

About 10-[3,5-di(pyrimidin-2-yl)phenyl]phenoxazine

10-[3,5-di(pyrimidin-2-yl)phenyl]phenoxazine (PubChem CID 58251203) has the molecular formula C26H17N5O and a molecular weight of 415.46 g/mol. Its IUPAC name is 10-[3,5-di(pyrimidin-2-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[3,5-di(pyrimidin-2-yl)phenyl]phenoxazine
PubChem CID58251203
Molecular FormulaC26H17N5O
Molecular Weight415.46 g/mol
Exact Mass415.14
IUPAC Name10-[3,5-di(pyrimidin-2-yl)phenyl]phenoxazine
SMILESc1cnc(-c2cc(-c3ncccn3)cc(N3c4ccccc4Oc4ccccc43)c2)nc1
InChIInChI=1S/C26H17N5O/c1-3-9-23-21(7-1)31(22-8-2-4-10-24(22)32-23)20-16-18(25-27-11-5-12-28-25)15-19(17-20)26-29-13-6-14-30-26/h1-17H
InChIKeyBJYOQGUHABUABU-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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Related Compounds

10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine
CID 129291614
10-[2-[3,5-bis(4-phenoxazin-10-ylpyrimidin-2-yl)phenyl]pyrimidin-4-yl]phenoxazine
CID 147100386
10-[3,5-di(pyrimidin-5-yl)phenyl]phenoxazine
CID 58251220
3-(3-amino-5-phenoxazin-10-ylphenyl)-5-phenoxazin-10-ylaniline
CID 129291729
10-(3,5-dinaphthalen-2-ylphenyl)phenoxazine
CID 58251173
10-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine
CID 129148066
10-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528381
10-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine;10-[3-phenoxazin-10-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine;10-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine
CID 159209827
10-[3-[3,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenoxazine
CID 129291663
10-[3,5-bis[3,5-bis(4-ethylphenyl)phenyl]phenyl]phenoxazine
CID 58251251
10-(3-methyl-5-phenoxazin-10-ylphenyl)phenoxazine
CID 145413452
10-[3-(2,6-diphenylpyrimidin-4-yl)-5-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine
CID 129291660

Frequently Asked Questions

What is the IUPAC name of 10-[3,5-di(pyrimidin-2-yl)phenyl]phenoxazine?
The IUPAC name of 10-[3,5-di(pyrimidin-2-yl)phenyl]phenoxazine (CID 58251203) is 10-[3,5-di(pyrimidin-2-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[3,5-di(pyrimidin-2-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[3,5-di(pyrimidin-2-yl)phenyl]phenoxazine is c1cnc(-c2cc(-c3ncccn3)cc(N3c4ccccc4Oc4ccccc43)c2)nc1.
What is the InChIKey of 10-[3,5-di(pyrimidin-2-yl)phenyl]phenoxazine?
The InChIKey is BJYOQGUHABUABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N5O/c1-3-9-23-21(7-1)31(22-8-2-4-10-24(22)32-23)20-16-18(25-27-11-5-12-28-25)15-19(17-20)26-29-13-6-14-30-26/h1-17H.
What are the key properties of 10-[3,5-di(pyrimidin-2-yl)phenyl]phenoxazine?
10-[3,5-di(pyrimidin-2-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-2-yl)phenyl]phenoxazine is sourced from PubChem (CID 58251203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).