10-[4-naphthalen-1-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine

C38H23F3N2O — CID 176668968

IUPAC10-[4-naphthalen-1-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine
SMILESFC(F)(F)c1ccc(-c2cc(-c3cccc4ccccc34)c3cccc(N4c5ccccc5Oc5ccccc54)c3n2)cc1
InChIInChI=1S/C38H23F3N2O/c39-38(40,41)26-21-19-25(20-22-26)31-23-30(28-12-7-10-24-9-1-2-11-27(24)28)29-13-8-16-34(37(29)42-31)43-32-14-3-5-17-35(32)44-36-18-6-4-15-33(36)43/h1-23H
InChIKeyMUDTXCCSNSUKHJ-UHFFFAOYSA-N
MW580.61 g/mol
LogP11.32
Rot. Bonds3

About 10-[4-naphthalen-1-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine

10-[4-naphthalen-1-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine (PubChem CID 176668968) has the molecular formula C38H23F3N2O and a molecular weight of 580.61 g/mol. Its IUPAC name is 10-[4-naphthalen-1-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine.

Molecular Properties

Compound Name10-[4-naphthalen-1-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine
PubChem CID176668968
Molecular FormulaC38H23F3N2O
Molecular Weight580.61 g/mol
Exact Mass580.18
IUPAC Name10-[4-naphthalen-1-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine
SMILESFC(F)(F)c1ccc(-c2cc(-c3cccc4ccccc34)c3cccc(N4c5ccccc5Oc5ccccc54)c3n2)cc1
InChIInChI=1S/C38H23F3N2O/c39-38(40,41)26-21-19-25(20-22-26)31-23-30(28-12-7-10-24-9-1-2-11-27(24)28)29-13-8-16-34(37(29)42-31)43-32-14-3-5-17-35(32)44-36-18-6-4-15-33(36)43/h1-23H
InChIKeyMUDTXCCSNSUKHJ-UHFFFAOYSA-N
XLogP11.32
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.61
LogP ≤ 511.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Naphthyl)-4-phenyl-3-[4-(4-phenyl-2-quinolyl)phenoxy]quinoline
CID 57393411
2-(1-Naphthyl)-4-phenyl-3-[4-(4-phenyl-2-quinolyl)phenoxy]quinoline
CID 57402132
10-[4-[6,7-Difluoro-3-(4-phenoxazin-10-ylphenyl)quinoxalin-2-yl]phenyl]phenoxazine
CID 139188327
Fdqpxz
CID 145766039
1-[4-(2-Fluorophenylmethoxy)phenyl]-3-phenyl-benzo[f]quinoline
CID 129763937
2-Methyl-8-[[3-[(2-methylquinolin-8-yl)oxymethyl]naphthalen-2-yl]methoxy]quinoline
CID 76330866
1-(4-Fluoro-2-methoxyphenyl)-4-(8-methylquinoline-2-ylmethyl)piperazine
CID 17955113
2-[4-(trifluoromethyl)phenyl]-5H-chromeno[3,4-f]quinoline
CID 67711475
2-[4-[2-(2,2,2-Trifluoroethoxy)phenyl]-1-piperazinylmethyl]quinoline
CID 69699662
6-Fluoro-2-[4-[2-(2,2,2-trifluoroethoxy)phenyl]-1-piperazinylmethyl]quinoline
CID 69700157
6-(9,9-Dimethylacridin-10-yl)-3-fluoro-10-phenoxazin-10-ylphenanthro[9,10-b]pyrazine-2-carbonitrile
CID 118912743
10-[2-Methyl-6-(2,3,5,6-tetrafluoro-4-pyridinyl)phenyl]phenoxazine
CID 118920506

Frequently Asked Questions

What is the IUPAC name of 10-[4-naphthalen-1-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine?
The IUPAC name of 10-[4-naphthalen-1-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine (CID 176668968) is 10-[4-naphthalen-1-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine.
What is the SMILES notation for 10-[4-naphthalen-1-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine?
The canonical SMILES for 10-[4-naphthalen-1-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine is FC(F)(F)c1ccc(-c2cc(-c3cccc4ccccc34)c3cccc(N4c5ccccc5Oc5ccccc54)c3n2)cc1.
What is the InChIKey of 10-[4-naphthalen-1-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine?
The InChIKey is MUDTXCCSNSUKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23F3N2O/c39-38(40,41)26-21-19-25(20-22-26)31-23-30(28-12-7-10-24-9-1-2-11-27(24)28)29-13-8-16-34(37(29)42-31)43-32-14-3-5-17-35(32)44-36-18-6-4-15-33(36)43/h1-23H.
What are the key properties of 10-[4-naphthalen-1-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine?
10-[4-naphthalen-1-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine has a molecular weight of 580.61 g/mol, XLogP of 11.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-naphthalen-1-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine is sourced from PubChem (CID 176668968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).