10-[3-phenothiazin-10-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine

C52H34N4OS — CID 118528543

IUPAC10-[3-phenothiazin-10-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Sc6ccccc65)c4)n3)cc2)cc1
InChIInChI=1S/C52H34N4OS/c1-3-15-35(16-4-1)36-27-29-38(30-28-36)43-34-42(37-17-5-2-6-18-37)53-52(54-43)39-31-40(55-44-19-7-11-23-48(44)57-49-24-12-8-20-45(49)55)33-41(32-39)56-46-21-9-13-25-50(46)58-51-26-14-10-22-47(51)56/h1-34H
InChIKeyWLXAIZNUUXWSQR-UHFFFAOYSA-N
MW762.94 g/mol
LogP14.65
Rot. Bonds6

About 10-[3-phenothiazin-10-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine

10-[3-phenothiazin-10-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine (PubChem CID 118528543) has the molecular formula C52H34N4OS and a molecular weight of 762.94 g/mol. Its IUPAC name is 10-[3-phenothiazin-10-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[3-phenothiazin-10-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine
PubChem CID118528543
Molecular FormulaC52H34N4OS
Molecular Weight762.94 g/mol
Exact Mass762.25
IUPAC Name10-[3-phenothiazin-10-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Sc6ccccc65)c4)n3)cc2)cc1
InChIInChI=1S/C52H34N4OS/c1-3-15-35(16-4-1)36-27-29-38(30-28-36)43-34-42(37-17-5-2-6-18-37)53-52(54-43)39-31-40(55-44-19-7-11-23-48(44)57-49-24-12-8-20-45(49)55)33-41(32-39)56-46-21-9-13-25-50(46)58-51-26-14-10-22-47(51)56/h1-34H
InChIKeyWLXAIZNUUXWSQR-UHFFFAOYSA-N
XLogP14.65
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.94
LogP ≤ 514.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10-[3-phenothiazin-10-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine?
The IUPAC name of 10-[3-phenothiazin-10-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine (CID 118528543) is 10-[3-phenothiazin-10-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine.
What is the SMILES notation for 10-[3-phenothiazin-10-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine?
The canonical SMILES for 10-[3-phenothiazin-10-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine is c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Sc6ccccc65)c4)n3)cc2)cc1.
What is the InChIKey of 10-[3-phenothiazin-10-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine?
The InChIKey is WLXAIZNUUXWSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4OS/c1-3-15-35(16-4-1)36-27-29-38(30-28-36)43-34-42(37-17-5-2-6-18-37)53-52(54-43)39-31-40(55-44-19-7-11-23-48(44)57-49-24-12-8-20-45(49)55)33-41(32-39)56-46-21-9-13-25-50(46)58-51-26-14-10-22-47(51)56/h1-34H.
What are the key properties of 10-[3-phenothiazin-10-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine?
10-[3-phenothiazin-10-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine has a molecular weight of 762.94 g/mol, XLogP of 14.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-phenothiazin-10-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine is sourced from PubChem (CID 118528543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).