10-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine

C40H27N3O — CID 118528389

IUPAC10-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)n3)cc2)cc1
InChIInChI=1S/C40H27N3O/c1-3-11-28(12-4-1)29-19-21-31(22-20-29)35-27-34(30-13-5-2-6-14-30)41-40(42-35)32-23-25-33(26-24-32)43-36-15-7-9-17-38(36)44-39-18-10-8-16-37(39)43/h1-27H
InChIKeyHZJKMELTBFOCMR-UHFFFAOYSA-N
MW565.68 g/mol
LogP10.72
Rot. Bonds5

About 10-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine

10-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine (PubChem CID 118528389) has the molecular formula C40H27N3O and a molecular weight of 565.68 g/mol. Its IUPAC name is 10-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine
PubChem CID118528389
Molecular FormulaC40H27N3O
Molecular Weight565.68 g/mol
Exact Mass565.22
IUPAC Name10-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)n3)cc2)cc1
InChIInChI=1S/C40H27N3O/c1-3-11-28(12-4-1)29-19-21-31(22-20-29)35-27-34(30-13-5-2-6-14-30)41-40(42-35)32-23-25-33(26-24-32)43-36-15-7-9-17-38(36)44-39-18-10-8-16-37(39)43/h1-27H
InChIKeyHZJKMELTBFOCMR-UHFFFAOYSA-N
XLogP10.72
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.68
LogP ≤ 510.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine?
The IUPAC name of 10-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine (CID 118528389) is 10-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine.
What is the SMILES notation for 10-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine?
The canonical SMILES for 10-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine is c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)n3)cc2)cc1.
What is the InChIKey of 10-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine?
The InChIKey is HZJKMELTBFOCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N3O/c1-3-11-28(12-4-1)29-19-21-31(22-20-29)35-27-34(30-13-5-2-6-14-30)41-40(42-35)32-23-25-33(26-24-32)43-36-15-7-9-17-38(36)44-39-18-10-8-16-37(39)43/h1-27H.
What are the key properties of 10-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine?
10-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine has a molecular weight of 565.68 g/mol, XLogP of 10.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine is sourced from PubChem (CID 118528389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).