10-[2-(4-fluorophenyl)-4-phenylquinolin-8-yl]phenoxazine

C33H21FN2O — CID 176668808

IUPAC10-[2-(4-fluorophenyl)-4-phenylquinolin-8-yl]phenoxazine
SMILESFc1ccc(-c2cc(-c3ccccc3)c3cccc(N4c5ccccc5Oc5ccccc54)c3n2)cc1
InChIInChI=1S/C33H21FN2O/c34-24-19-17-23(18-20-24)27-21-26(22-9-2-1-3-10-22)25-11-8-14-30(33(25)35-27)36-28-12-4-6-15-31(28)37-32-16-7-5-13-29(32)36/h1-21H
InChIKeyPUNJCJMLHZCEAE-UHFFFAOYSA-N
MW480.54 g/mol
LogP9.28
Rot. Bonds3

About 10-[2-(4-fluorophenyl)-4-phenylquinolin-8-yl]phenoxazine

10-[2-(4-fluorophenyl)-4-phenylquinolin-8-yl]phenoxazine (PubChem CID 176668808) has the molecular formula C33H21FN2O and a molecular weight of 480.54 g/mol. Its IUPAC name is 10-[2-(4-fluorophenyl)-4-phenylquinolin-8-yl]phenoxazine.

Molecular Properties

Compound Name10-[2-(4-fluorophenyl)-4-phenylquinolin-8-yl]phenoxazine
PubChem CID176668808
Molecular FormulaC33H21FN2O
Molecular Weight480.54 g/mol
Exact Mass480.16
IUPAC Name10-[2-(4-fluorophenyl)-4-phenylquinolin-8-yl]phenoxazine
SMILESFc1ccc(-c2cc(-c3ccccc3)c3cccc(N4c5ccccc5Oc5ccccc54)c3n2)cc1
InChIInChI=1S/C33H21FN2O/c34-24-19-17-23(18-20-24)27-21-26(22-9-2-1-3-10-22)25-11-8-14-30(33(25)35-27)36-28-12-4-6-15-31(28)37-32-16-7-5-13-29(32)36/h1-21H
InChIKeyPUNJCJMLHZCEAE-UHFFFAOYSA-N
XLogP9.28
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms37
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.54
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-[2-(4-fluorophenyl)-4-phenylquinolin-8-yl]phenoxazine?
The IUPAC name of 10-[2-(4-fluorophenyl)-4-phenylquinolin-8-yl]phenoxazine (CID 176668808) is 10-[2-(4-fluorophenyl)-4-phenylquinolin-8-yl]phenoxazine.
What is the SMILES notation for 10-[2-(4-fluorophenyl)-4-phenylquinolin-8-yl]phenoxazine?
The canonical SMILES for 10-[2-(4-fluorophenyl)-4-phenylquinolin-8-yl]phenoxazine is Fc1ccc(-c2cc(-c3ccccc3)c3cccc(N4c5ccccc5Oc5ccccc54)c3n2)cc1.
What is the InChIKey of 10-[2-(4-fluorophenyl)-4-phenylquinolin-8-yl]phenoxazine?
The InChIKey is PUNJCJMLHZCEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21FN2O/c34-24-19-17-23(18-20-24)27-21-26(22-9-2-1-3-10-22)25-11-8-14-30(33(25)35-27)36-28-12-4-6-15-31(28)37-32-16-7-5-13-29(32)36/h1-21H.
What are the key properties of 10-[2-(4-fluorophenyl)-4-phenylquinolin-8-yl]phenoxazine?
10-[2-(4-fluorophenyl)-4-phenylquinolin-8-yl]phenoxazine has a molecular weight of 480.54 g/mol, XLogP of 9.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(4-fluorophenyl)-4-phenylquinolin-8-yl]phenoxazine is sourced from PubChem (CID 176668808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).