10-[3-ethyl-2,4-bis(3-fluorophenyl)-5-phenoxazin-10-ylphenyl]phenoxazine

C44H30F2N2O2 — CID 139552896

IUPAC10-[3-ethyl-2,4-bis(3-fluorophenyl)-5-phenoxazin-10-ylphenyl]phenoxazine
SMILESCCc1c(-c2cccc(F)c2)c(N2c3ccccc3Oc3ccccc32)cc(N2c3ccccc3Oc3ccccc32)c1-c1cccc(F)c1
InChIInChI=1S/C44H30F2N2O2/c1-2-32-43(28-13-11-15-30(45)25-28)37(47-33-17-3-7-21-39(33)49-40-22-8-4-18-34(40)47)27-38(44(32)29-14-12-16-31(46)26-29)48-35-19-5-9-23-41(35)50-42-24-10-6-20-36(42)48/h3-27H,2H2,1H3
InChIKeyFBKDFRUIZAUFCZ-UHFFFAOYSA-N
MW656.73 g/mol
LogP13.01
Rot. Bonds5

About 10-[3-ethyl-2,4-bis(3-fluorophenyl)-5-phenoxazin-10-ylphenyl]phenoxazine

10-[3-ethyl-2,4-bis(3-fluorophenyl)-5-phenoxazin-10-ylphenyl]phenoxazine (PubChem CID 139552896) has the molecular formula C44H30F2N2O2 and a molecular weight of 656.73 g/mol. Its IUPAC name is 10-[3-ethyl-2,4-bis(3-fluorophenyl)-5-phenoxazin-10-ylphenyl]phenoxazine.

Molecular Properties

Compound Name10-[3-ethyl-2,4-bis(3-fluorophenyl)-5-phenoxazin-10-ylphenyl]phenoxazine
PubChem CID139552896
Molecular FormulaC44H30F2N2O2
Molecular Weight656.73 g/mol
Exact Mass656.23
IUPAC Name10-[3-ethyl-2,4-bis(3-fluorophenyl)-5-phenoxazin-10-ylphenyl]phenoxazine
SMILESCCc1c(-c2cccc(F)c2)c(N2c3ccccc3Oc3ccccc32)cc(N2c3ccccc3Oc3ccccc32)c1-c1cccc(F)c1
InChIInChI=1S/C44H30F2N2O2/c1-2-32-43(28-13-11-15-30(45)25-28)37(47-33-17-3-7-21-39(33)49-40-22-8-4-18-34(40)47)27-38(44(32)29-14-12-16-31(46)26-29)48-35-19-5-9-23-41(35)50-42-24-10-6-20-36(42)48/h3-27H,2H2,1H3
InChIKeyFBKDFRUIZAUFCZ-UHFFFAOYSA-N
XLogP13.01
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.73
LogP ≤ 513.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-[3-ethyl-2,4-bis(3-fluorophenyl)-5-phenoxazin-10-ylphenyl]phenoxazine?
The IUPAC name of 10-[3-ethyl-2,4-bis(3-fluorophenyl)-5-phenoxazin-10-ylphenyl]phenoxazine (CID 139552896) is 10-[3-ethyl-2,4-bis(3-fluorophenyl)-5-phenoxazin-10-ylphenyl]phenoxazine.
What is the SMILES notation for 10-[3-ethyl-2,4-bis(3-fluorophenyl)-5-phenoxazin-10-ylphenyl]phenoxazine?
The canonical SMILES for 10-[3-ethyl-2,4-bis(3-fluorophenyl)-5-phenoxazin-10-ylphenyl]phenoxazine is CCc1c(-c2cccc(F)c2)c(N2c3ccccc3Oc3ccccc32)cc(N2c3ccccc3Oc3ccccc32)c1-c1cccc(F)c1.
What is the InChIKey of 10-[3-ethyl-2,4-bis(3-fluorophenyl)-5-phenoxazin-10-ylphenyl]phenoxazine?
The InChIKey is FBKDFRUIZAUFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30F2N2O2/c1-2-32-43(28-13-11-15-30(45)25-28)37(47-33-17-3-7-21-39(33)49-40-22-8-4-18-34(40)47)27-38(44(32)29-14-12-16-31(46)26-29)48-35-19-5-9-23-41(35)50-42-24-10-6-20-36(42)48/h3-27H,2H2,1H3.
What are the key properties of 10-[3-ethyl-2,4-bis(3-fluorophenyl)-5-phenoxazin-10-ylphenyl]phenoxazine?
10-[3-ethyl-2,4-bis(3-fluorophenyl)-5-phenoxazin-10-ylphenyl]phenoxazine has a molecular weight of 656.73 g/mol, XLogP of 13.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-ethyl-2,4-bis(3-fluorophenyl)-5-phenoxazin-10-ylphenyl]phenoxazine is sourced from PubChem (CID 139552896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).