10-(3,5-dipyridin-4-ylphenyl)phenoxazine

C28H19N3O — CID 58251271

IUPAC10-(3,5-dipyridin-4-ylphenyl)phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(-c2ccncc2)cc(-c2ccncc2)c1
InChIInChI=1S/C28H19N3O/c1-3-7-27-25(5-1)31(26-6-2-4-8-28(26)32-27)24-18-22(20-9-13-29-14-10-20)17-23(19-24)21-11-15-30-16-12-21/h1-19H
InChIKeyYBNHMSRYEIAXSW-UHFFFAOYSA-N
MW413.48 g/mol
LogP7.39
Rot. Bonds3

About 10-(3,5-dipyridin-4-ylphenyl)phenoxazine

10-(3,5-dipyridin-4-ylphenyl)phenoxazine (PubChem CID 58251271) has the molecular formula C28H19N3O and a molecular weight of 413.48 g/mol. Its IUPAC name is 10-(3,5-dipyridin-4-ylphenyl)phenoxazine.

Molecular Properties

Compound Name10-(3,5-dipyridin-4-ylphenyl)phenoxazine
PubChem CID58251271
Molecular FormulaC28H19N3O
Molecular Weight413.48 g/mol
Exact Mass413.15
IUPAC Name10-(3,5-dipyridin-4-ylphenyl)phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(-c2ccncc2)cc(-c2ccncc2)c1
InChIInChI=1S/C28H19N3O/c1-3-7-27-25(5-1)31(26-6-2-4-8-28(26)32-27)24-18-22(20-9-13-29-14-10-20)17-23(19-24)21-11-15-30-16-12-21/h1-19H
InChIKeyYBNHMSRYEIAXSW-UHFFFAOYSA-N
XLogP7.39
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-(3,5-dipyridin-4-ylphenyl)phenoxazine?
The IUPAC name of 10-(3,5-dipyridin-4-ylphenyl)phenoxazine (CID 58251271) is 10-(3,5-dipyridin-4-ylphenyl)phenoxazine.
What is the SMILES notation for 10-(3,5-dipyridin-4-ylphenyl)phenoxazine?
The canonical SMILES for 10-(3,5-dipyridin-4-ylphenyl)phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2ccncc2)cc(-c2ccncc2)c1.
What is the InChIKey of 10-(3,5-dipyridin-4-ylphenyl)phenoxazine?
The InChIKey is YBNHMSRYEIAXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N3O/c1-3-7-27-25(5-1)31(26-6-2-4-8-28(26)32-27)24-18-22(20-9-13-29-14-10-20)17-23(19-24)21-11-15-30-16-12-21/h1-19H.
What are the key properties of 10-(3,5-dipyridin-4-ylphenyl)phenoxazine?
10-(3,5-dipyridin-4-ylphenyl)phenoxazine has a molecular weight of 413.48 g/mol, XLogP of 7.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3,5-dipyridin-4-ylphenyl)phenoxazine is sourced from PubChem (CID 58251271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).