10-[3,5-di(phenoxazin-10-yl)-2,4,6-tris(trifluoromethyl)phenyl]phenoxazine

C45H24F9N3O3 — CID 154940540

IUPAC10-[3,5-di(phenoxazin-10-yl)-2,4,6-tris(trifluoromethyl)phenyl]phenoxazine
SMILESFC(F)(F)c1c(N2c3ccccc3Oc3ccccc32)c(C(F)(F)F)c(N2c3ccccc3Oc3ccccc32)c(C(F)(F)F)c1N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C45H24F9N3O3/c46-43(47,48)37-40(55-25-13-1-7-19-31(25)58-32-20-8-2-14-26(32)55)38(44(49,50)51)42(57-29-17-5-11-23-35(29)60-36-24-12-6-18-30(36)57)39(45(52,53)54)41(37)56-27-15-3-9-21-33(27)59-34-22-10-4-16-28(34)56/h1-24H
InChIKeySQGPLCPXZRJIAT-UHFFFAOYSA-N
MW825.69 g/mol
LogP15.47
Rot. Bonds3

About 10-[3,5-di(phenoxazin-10-yl)-2,4,6-tris(trifluoromethyl)phenyl]phenoxazine

10-[3,5-di(phenoxazin-10-yl)-2,4,6-tris(trifluoromethyl)phenyl]phenoxazine (PubChem CID 154940540) has the molecular formula C45H24F9N3O3 and a molecular weight of 825.69 g/mol. Its IUPAC name is 10-[3,5-di(phenoxazin-10-yl)-2,4,6-tris(trifluoromethyl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[3,5-di(phenoxazin-10-yl)-2,4,6-tris(trifluoromethyl)phenyl]phenoxazine
PubChem CID154940540
Molecular FormulaC45H24F9N3O3
Molecular Weight825.69 g/mol
Exact Mass825.17
IUPAC Name10-[3,5-di(phenoxazin-10-yl)-2,4,6-tris(trifluoromethyl)phenyl]phenoxazine
SMILESFC(F)(F)c1c(N2c3ccccc3Oc3ccccc32)c(C(F)(F)F)c(N2c3ccccc3Oc3ccccc32)c(C(F)(F)F)c1N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C45H24F9N3O3/c46-43(47,48)37-40(55-25-13-1-7-19-31(25)58-32-20-8-2-14-26(32)55)38(44(49,50)51)42(57-29-17-5-11-23-35(29)60-36-24-12-6-18-30(36)57)39(45(52,53)54)41(37)56-27-15-3-9-21-33(27)59-34-22-10-4-16-28(34)56/h1-24H
InChIKeySQGPLCPXZRJIAT-UHFFFAOYSA-N
XLogP15.47
TPSA37.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.69
LogP ≤ 515.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10-[3,5-di(phenoxazin-10-yl)-2,4,6-tris(trifluoromethyl)phenyl]phenoxazine?
The IUPAC name of 10-[3,5-di(phenoxazin-10-yl)-2,4,6-tris(trifluoromethyl)phenyl]phenoxazine (CID 154940540) is 10-[3,5-di(phenoxazin-10-yl)-2,4,6-tris(trifluoromethyl)phenyl]phenoxazine.
What is the SMILES notation for 10-[3,5-di(phenoxazin-10-yl)-2,4,6-tris(trifluoromethyl)phenyl]phenoxazine?
The canonical SMILES for 10-[3,5-di(phenoxazin-10-yl)-2,4,6-tris(trifluoromethyl)phenyl]phenoxazine is FC(F)(F)c1c(N2c3ccccc3Oc3ccccc32)c(C(F)(F)F)c(N2c3ccccc3Oc3ccccc32)c(C(F)(F)F)c1N1c2ccccc2Oc2ccccc21.
What is the InChIKey of 10-[3,5-di(phenoxazin-10-yl)-2,4,6-tris(trifluoromethyl)phenyl]phenoxazine?
The InChIKey is SQGPLCPXZRJIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H24F9N3O3/c46-43(47,48)37-40(55-25-13-1-7-19-31(25)58-32-20-8-2-14-26(32)55)38(44(49,50)51)42(57-29-17-5-11-23-35(29)60-36-24-12-6-18-30(36)57)39(45(52,53)54)41(37)56-27-15-3-9-21-33(27)59-34-22-10-4-16-28(34)56/h1-24H.
What are the key properties of 10-[3,5-di(phenoxazin-10-yl)-2,4,6-tris(trifluoromethyl)phenyl]phenoxazine?
10-[3,5-di(phenoxazin-10-yl)-2,4,6-tris(trifluoromethyl)phenyl]phenoxazine has a molecular weight of 825.69 g/mol, XLogP of 15.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3,5-di(phenoxazin-10-yl)-2,4,6-tris(trifluoromethyl)phenyl]phenoxazine is sourced from PubChem (CID 154940540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).