10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine

C51H33N5OS — CID 118528521

IUPAC10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)nc(-c4ccc(N5c6ccccc6Sc6ccccc65)cc4)n3)cc2)cc1
InChIInChI=1S/C51H33N5OS/c1-2-12-34(13-3-1)35-22-24-36(25-23-35)49-52-50(37-26-30-39(31-27-37)55-41-14-4-8-18-45(41)57-46-19-9-5-15-42(46)55)54-51(53-49)38-28-32-40(33-29-38)56-43-16-6-10-20-47(43)58-48-21-11-7-17-44(48)56/h1-33H
InChIKeyXIADUEAAANXELE-UHFFFAOYSA-N
MW763.93 g/mol
LogP14.05
Rot. Bonds6

About 10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine

10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine (PubChem CID 118528521) has the molecular formula C51H33N5OS and a molecular weight of 763.93 g/mol. Its IUPAC name is 10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine
PubChem CID118528521
Molecular FormulaC51H33N5OS
Molecular Weight763.93 g/mol
Exact Mass763.24
IUPAC Name10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)nc(-c4ccc(N5c6ccccc6Sc6ccccc65)cc4)n3)cc2)cc1
InChIInChI=1S/C51H33N5OS/c1-2-12-34(13-3-1)35-22-24-36(25-23-35)49-52-50(37-26-30-39(31-27-37)55-41-14-4-8-18-45(41)57-46-19-9-5-15-42(46)55)54-51(53-49)38-28-32-40(33-29-38)56-43-16-6-10-20-47(43)58-48-21-11-7-17-44(48)56/h1-33H
InChIKeyXIADUEAAANXELE-UHFFFAOYSA-N
XLogP14.05
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.93
LogP ≤ 514.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]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-(4-phenothiazin-10-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine?
The IUPAC name of 10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine (CID 118528521) is 10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine.
What is the SMILES notation for 10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine?
The canonical SMILES for 10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine is c1ccc(-c2ccc(-c3nc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)nc(-c4ccc(N5c6ccccc6Sc6ccccc65)cc4)n3)cc2)cc1.
What is the InChIKey of 10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine?
The InChIKey is XIADUEAAANXELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5OS/c1-2-12-34(13-3-1)35-22-24-36(25-23-35)49-52-50(37-26-30-39(31-27-37)55-41-14-4-8-18-45(41)57-46-19-9-5-15-42(46)55)54-51(53-49)38-28-32-40(33-29-38)56-43-16-6-10-20-47(43)58-48-21-11-7-17-44(48)56/h1-33H.
What are the key properties of 10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine?
10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine has a molecular weight of 763.93 g/mol, XLogP of 14.05, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine is sourced from PubChem (CID 118528521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).