10-[4-[3-(4-phenoxazin-10-ylphenyl)-5-phenylphenyl]phenyl]phenoxazine

C48H32N2O2 — CID 20607964

IUPAC10-[4-[3-(4-phenoxazin-10-ylphenyl)-5-phenylphenyl]phenyl]phenoxazine
SMILESc1ccc(-c2cc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)cc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)c2)cc1
InChIInChI=1S/C48H32N2O2/c1-2-12-33(13-3-1)36-30-37(34-22-26-39(27-23-34)49-41-14-4-8-18-45(41)51-46-19-9-5-15-42(46)49)32-38(31-36)35-24-28-40(29-25-35)50-43-16-6-10-20-47(43)52-48-21-11-7-17-44(48)50/h1-32H
InChIKeyHOMLLFBOSBLVNL-UHFFFAOYSA-N
MW668.80 g/mol
LogP13.84
Rot. Bonds5

About 10-[4-[3-(4-phenoxazin-10-ylphenyl)-5-phenylphenyl]phenyl]phenoxazine

10-[4-[3-(4-phenoxazin-10-ylphenyl)-5-phenylphenyl]phenyl]phenoxazine (PubChem CID 20607964) has the molecular formula C48H32N2O2 and a molecular weight of 668.80 g/mol. Its IUPAC name is 10-[4-[3-(4-phenoxazin-10-ylphenyl)-5-phenylphenyl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-[3-(4-phenoxazin-10-ylphenyl)-5-phenylphenyl]phenyl]phenoxazine
PubChem CID20607964
Molecular FormulaC48H32N2O2
Molecular Weight668.80 g/mol
Exact Mass668.25
IUPAC Name10-[4-[3-(4-phenoxazin-10-ylphenyl)-5-phenylphenyl]phenyl]phenoxazine
SMILESc1ccc(-c2cc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)cc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)c2)cc1
InChIInChI=1S/C48H32N2O2/c1-2-12-33(13-3-1)36-30-37(34-22-26-39(27-23-34)49-41-14-4-8-18-45(41)51-46-19-9-5-15-42(46)49)32-38(31-36)35-24-28-40(29-25-35)50-43-16-6-10-20-47(43)52-48-21-11-7-17-44(48)50/h1-32H
InChIKeyHOMLLFBOSBLVNL-UHFFFAOYSA-N
XLogP13.84
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.80
LogP ≤ 513.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-[4-[3-(4-phenoxazin-10-ylphenyl)-5-phenylphenyl]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-[3-(4-phenoxazin-10-ylphenyl)-5-phenylphenyl]phenyl]phenoxazine?
The IUPAC name of 10-[4-[3-(4-phenoxazin-10-ylphenyl)-5-phenylphenyl]phenyl]phenoxazine (CID 20607964) is 10-[4-[3-(4-phenoxazin-10-ylphenyl)-5-phenylphenyl]phenyl]phenoxazine.
What is the SMILES notation for 10-[4-[3-(4-phenoxazin-10-ylphenyl)-5-phenylphenyl]phenyl]phenoxazine?
The canonical SMILES for 10-[4-[3-(4-phenoxazin-10-ylphenyl)-5-phenylphenyl]phenyl]phenoxazine is c1ccc(-c2cc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)cc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)c2)cc1.
What is the InChIKey of 10-[4-[3-(4-phenoxazin-10-ylphenyl)-5-phenylphenyl]phenyl]phenoxazine?
The InChIKey is HOMLLFBOSBLVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2O2/c1-2-12-33(13-3-1)36-30-37(34-22-26-39(27-23-34)49-41-14-4-8-18-45(41)51-46-19-9-5-15-42(46)49)32-38(31-36)35-24-28-40(29-25-35)50-43-16-6-10-20-47(43)52-48-21-11-7-17-44(48)50/h1-32H.
What are the key properties of 10-[4-[3-(4-phenoxazin-10-ylphenyl)-5-phenylphenyl]phenyl]phenoxazine?
10-[4-[3-(4-phenoxazin-10-ylphenyl)-5-phenylphenyl]phenyl]phenoxazine has a molecular weight of 668.80 g/mol, XLogP of 13.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[3-(4-phenoxazin-10-ylphenyl)-5-phenylphenyl]phenyl]phenoxazine is sourced from PubChem (CID 20607964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).