10-[2-(2,6-diphenylpyrimidin-4-yl)oxyphenyl]phenoxazine

C34H23N3O2 — CID 145345351

IUPAC10-[2-(2,6-diphenylpyrimidin-4-yl)oxyphenyl]phenoxazine
SMILESc1ccc(-c2cc(Oc3ccccc3N3c4ccccc4Oc4ccccc43)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C34H23N3O2/c1-3-13-24(14-4-1)26-23-33(36-34(35-26)25-15-5-2-6-16-25)39-32-22-12-9-19-29(32)37-27-17-7-10-20-30(27)38-31-21-11-8-18-28(31)37/h1-23H
InChIKeyXEESQTRKGANRCX-UHFFFAOYSA-N
MW505.58 g/mol
LogP9.18
Rot. Bonds5

About 10-[2-(2,6-diphenylpyrimidin-4-yl)oxyphenyl]phenoxazine

10-[2-(2,6-diphenylpyrimidin-4-yl)oxyphenyl]phenoxazine (PubChem CID 145345351) has the molecular formula C34H23N3O2 and a molecular weight of 505.58 g/mol. Its IUPAC name is 10-[2-(2,6-diphenylpyrimidin-4-yl)oxyphenyl]phenoxazine.

Molecular Properties

Compound Name10-[2-(2,6-diphenylpyrimidin-4-yl)oxyphenyl]phenoxazine
PubChem CID145345351
Molecular FormulaC34H23N3O2
Molecular Weight505.58 g/mol
Exact Mass505.18
IUPAC Name10-[2-(2,6-diphenylpyrimidin-4-yl)oxyphenyl]phenoxazine
SMILESc1ccc(-c2cc(Oc3ccccc3N3c4ccccc4Oc4ccccc43)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C34H23N3O2/c1-3-13-24(14-4-1)26-23-33(36-34(35-26)25-15-5-2-6-16-25)39-32-22-12-9-19-29(32)37-27-17-7-10-20-30(27)38-31-21-11-8-18-28(31)37/h1-23H
InChIKeyXEESQTRKGANRCX-UHFFFAOYSA-N
XLogP9.18
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.58
LogP ≤ 59.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-di(phenoxazin-10-yl)phenyl]phenoxazine
CID 166913227
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-(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-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine
CID 129290682
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine
CID 129290690
10-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenothiazin-10-ylphenyl]phenoxazine
CID 118528544
10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenoxazine;10-[3-phenoxazin-10-yl-5-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenoxazine;10-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenoxazine;10-[4-(6-phenyl-2-pyridinyl)phenyl]phenoxazine
CID 159777799
10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528356
10-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528381
10-[3-phenothiazin-10-yl-5-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenoxazine
CID 118528548
10-[3-(2,6-diphenylpyrimidin-4-yl)-5-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine
CID 129291660
10-[3-[3,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine;10-[3-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine;10-[3-[3-(2,6-diphenylpyrimidin-4-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenoxazine
CID 159416067

Frequently Asked Questions

What is the IUPAC name of 10-[2-(2,6-diphenylpyrimidin-4-yl)oxyphenyl]phenoxazine?
The IUPAC name of 10-[2-(2,6-diphenylpyrimidin-4-yl)oxyphenyl]phenoxazine (CID 145345351) is 10-[2-(2,6-diphenylpyrimidin-4-yl)oxyphenyl]phenoxazine.
What is the SMILES notation for 10-[2-(2,6-diphenylpyrimidin-4-yl)oxyphenyl]phenoxazine?
The canonical SMILES for 10-[2-(2,6-diphenylpyrimidin-4-yl)oxyphenyl]phenoxazine is c1ccc(-c2cc(Oc3ccccc3N3c4ccccc4Oc4ccccc43)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 10-[2-(2,6-diphenylpyrimidin-4-yl)oxyphenyl]phenoxazine?
The InChIKey is XEESQTRKGANRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23N3O2/c1-3-13-24(14-4-1)26-23-33(36-34(35-26)25-15-5-2-6-16-25)39-32-22-12-9-19-29(32)37-27-17-7-10-20-30(27)38-31-21-11-8-18-28(31)37/h1-23H.
What are the key properties of 10-[2-(2,6-diphenylpyrimidin-4-yl)oxyphenyl]phenoxazine?
10-[2-(2,6-diphenylpyrimidin-4-yl)oxyphenyl]phenoxazine has a molecular weight of 505.58 g/mol, XLogP of 9.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(2,6-diphenylpyrimidin-4-yl)oxyphenyl]phenoxazine is sourced from PubChem (CID 145345351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).