10-[4-(4-ethenylphenyl)-6-phenylpyrimidin-2-yl]phenoxazine

C30H21N3O — CID 118406414

IUPAC10-[4-(4-ethenylphenyl)-6-phenylpyrimidin-2-yl]phenoxazine
SMILESC=Cc1ccc(-c2cc(-c3ccccc3)nc(N3c4ccccc4Oc4ccccc43)n2)cc1
InChIInChI=1S/C30H21N3O/c1-2-21-16-18-23(19-17-21)25-20-24(22-10-4-3-5-11-22)31-30(32-25)33-26-12-6-8-14-28(26)34-29-15-9-7-13-27(29)33/h2-20H,1H2
InChIKeyZYSYYGZXEWHZFS-UHFFFAOYSA-N
MW439.52 g/mol
LogP8.03
Rot. Bonds4

About 10-[4-(4-ethenylphenyl)-6-phenylpyrimidin-2-yl]phenoxazine

10-[4-(4-ethenylphenyl)-6-phenylpyrimidin-2-yl]phenoxazine (PubChem CID 118406414) has the molecular formula C30H21N3O and a molecular weight of 439.52 g/mol. Its IUPAC name is 10-[4-(4-ethenylphenyl)-6-phenylpyrimidin-2-yl]phenoxazine.

Molecular Properties

Compound Name10-[4-(4-ethenylphenyl)-6-phenylpyrimidin-2-yl]phenoxazine
PubChem CID118406414
Molecular FormulaC30H21N3O
Molecular Weight439.52 g/mol
Exact Mass439.17
IUPAC Name10-[4-(4-ethenylphenyl)-6-phenylpyrimidin-2-yl]phenoxazine
SMILESC=Cc1ccc(-c2cc(-c3ccccc3)nc(N3c4ccccc4Oc4ccccc43)n2)cc1
InChIInChI=1S/C30H21N3O/c1-2-21-16-18-23(19-17-21)25-20-24(22-10-4-3-5-11-22)31-30(32-25)33-26-12-6-8-14-28(26)34-29-15-9-7-13-27(29)33/h2-20H,1H2
InChIKeyZYSYYGZXEWHZFS-UHFFFAOYSA-N
XLogP8.03
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-[4-(4-ethenylphenyl)-6-phenylpyrimidin-2-yl]phenoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-[4-(4-ethenylphenyl)-6-phenylpyrimidin-2-yl]phenoxazine?
The IUPAC name of 10-[4-(4-ethenylphenyl)-6-phenylpyrimidin-2-yl]phenoxazine (CID 118406414) is 10-[4-(4-ethenylphenyl)-6-phenylpyrimidin-2-yl]phenoxazine.
What is the SMILES notation for 10-[4-(4-ethenylphenyl)-6-phenylpyrimidin-2-yl]phenoxazine?
The canonical SMILES for 10-[4-(4-ethenylphenyl)-6-phenylpyrimidin-2-yl]phenoxazine is C=Cc1ccc(-c2cc(-c3ccccc3)nc(N3c4ccccc4Oc4ccccc43)n2)cc1.
What is the InChIKey of 10-[4-(4-ethenylphenyl)-6-phenylpyrimidin-2-yl]phenoxazine?
The InChIKey is ZYSYYGZXEWHZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N3O/c1-2-21-16-18-23(19-17-21)25-20-24(22-10-4-3-5-11-22)31-30(32-25)33-26-12-6-8-14-28(26)34-29-15-9-7-13-27(29)33/h2-20H,1H2.
What are the key properties of 10-[4-(4-ethenylphenyl)-6-phenylpyrimidin-2-yl]phenoxazine?
10-[4-(4-ethenylphenyl)-6-phenylpyrimidin-2-yl]phenoxazine has a molecular weight of 439.52 g/mol, XLogP of 8.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(4-ethenylphenyl)-6-phenylpyrimidin-2-yl]phenoxazine is sourced from PubChem (CID 118406414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).