10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxazine

C34H23N3O — CID 71007098

IUPAC10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxazine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(N4c5ccccc5Oc5ccccc54)c3)n2)cc1
InChIInChI=1S/C34H23N3O/c1-3-12-24(13-4-1)28-23-29(25-14-5-2-6-15-25)36-34(35-28)26-16-11-17-27(22-26)37-30-18-7-9-20-32(30)38-33-21-10-8-19-31(33)37/h1-23H
InChIKeyKWTNPWDBAJVRQW-UHFFFAOYSA-N
MW489.58 g/mol
LogP9.05
Rot. Bonds4

About 10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxazine

10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxazine (PubChem CID 71007098) has the molecular formula C34H23N3O and a molecular weight of 489.58 g/mol. Its IUPAC name is 10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxazine
PubChem CID71007098
Molecular FormulaC34H23N3O
Molecular Weight489.58 g/mol
Exact Mass489.18
IUPAC Name10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxazine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(N4c5ccccc5Oc5ccccc54)c3)n2)cc1
InChIInChI=1S/C34H23N3O/c1-3-12-24(13-4-1)28-23-29(25-14-5-2-6-15-25)36-34(35-28)26-16-11-17-27(22-26)37-30-18-7-9-20-32(30)38-33-21-10-8-19-31(33)37/h1-23H
InChIKeyKWTNPWDBAJVRQW-UHFFFAOYSA-N
XLogP9.05
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.58
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxazine?
The IUPAC name of 10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxazine (CID 71007098) is 10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxazine is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(N4c5ccccc5Oc5ccccc54)c3)n2)cc1.
What is the InChIKey of 10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxazine?
The InChIKey is KWTNPWDBAJVRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23N3O/c1-3-12-24(13-4-1)28-23-29(25-14-5-2-6-15-25)36-34(35-28)26-16-11-17-27(22-26)37-30-18-7-9-20-32(30)38-33-21-10-8-19-31(33)37/h1-23H.
What are the key properties of 10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxazine?
10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxazine has a molecular weight of 489.58 g/mol, XLogP of 9.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxazine is sourced from PubChem (CID 71007098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).