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

C34H23FN2O — CID 176668986

IUPAC10-[2-(4-fluorophenyl)-4-(4-methylphenyl)quinolin-8-yl]phenoxazine
SMILESCc1ccc(-c2cc(-c3ccc(F)cc3)nc3c(N4c5ccccc5Oc5ccccc54)cccc23)cc1
InChIInChI=1S/C34H23FN2O/c1-22-13-15-23(16-14-22)27-21-28(24-17-19-25(35)20-18-24)36-34-26(27)7-6-10-31(34)37-29-8-2-4-11-32(29)38-33-12-5-3-9-30(33)37/h2-21H,1H3
InChIKeyNKISHRXAHLLJSX-UHFFFAOYSA-N
MW494.57 g/mol
LogP9.59
Rot. Bonds3

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

10-[2-(4-fluorophenyl)-4-(4-methylphenyl)quinolin-8-yl]phenoxazine (PubChem CID 176668986) has the molecular formula C34H23FN2O and a molecular weight of 494.57 g/mol. Its IUPAC name is 10-[2-(4-fluorophenyl)-4-(4-methylphenyl)quinolin-8-yl]phenoxazine.

Molecular Properties

Compound Name10-[2-(4-fluorophenyl)-4-(4-methylphenyl)quinolin-8-yl]phenoxazine
PubChem CID176668986
Molecular FormulaC34H23FN2O
Molecular Weight494.57 g/mol
Exact Mass494.18
IUPAC Name10-[2-(4-fluorophenyl)-4-(4-methylphenyl)quinolin-8-yl]phenoxazine
SMILESCc1ccc(-c2cc(-c3ccc(F)cc3)nc3c(N4c5ccccc5Oc5ccccc54)cccc23)cc1
InChIInChI=1S/C34H23FN2O/c1-22-13-15-23(16-14-22)27-21-28(24-17-19-25(35)20-18-24)36-34-26(27)7-6-10-31(34)37-29-8-2-4-11-32(29)38-33-12-5-3-9-30(33)37/h2-21H,1H3
InChIKeyNKISHRXAHLLJSX-UHFFFAOYSA-N
XLogP9.59
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.57
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-[6-Fluoro-2-(4-fluorophenyl)-3-pyridinyl]phenoxy]methyl]quinoline
CID 122196331
Quinoline, 2-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-
CID 3044972
2,4-Diphenyl-3-[4-(4-phenyl-2-quinolyl)phenoxy]quinoline
CID 57398656
4-Phenyl-2-(4-phenylphenyl)-3-[4-(4-phenyl-2-quinolyl)phenoxy]quinoline
CID 57400340
4-Phenyl-3-[4-(4-phenyl-2-quinolyl)phenoxy]-2-(p-tolyl)quinoline
CID 57403885
2-[[4-[2-(4-Fluorophenyl)-6-methoxy-3-pyridinyl]phenoxy]methyl]quinoline
CID 122196407
2,9-Bis(4-methoxyphenyl)-1,10-phenanthroline
CID 13185379
10-[4-[6,7-Difluoro-3-(4-phenoxazin-10-ylphenyl)quinoxalin-2-yl]phenyl]phenoxazine
CID 139188327
Fdqpxz
CID 145766039
2,9-Di(2-methoxyphenyl)-1,10-phenanthroline
CID 10691911
2,9-Bis[(4-methoxyphenyl)methyl]-1,10-phenanthroline
CID 67372925
2-(4-Fluorophenoxy)-3-phenylquinoxaline
CID 386968

Frequently Asked Questions

What is the IUPAC name of 10-[2-(4-fluorophenyl)-4-(4-methylphenyl)quinolin-8-yl]phenoxazine?
The IUPAC name of 10-[2-(4-fluorophenyl)-4-(4-methylphenyl)quinolin-8-yl]phenoxazine (CID 176668986) is 10-[2-(4-fluorophenyl)-4-(4-methylphenyl)quinolin-8-yl]phenoxazine.
What is the SMILES notation for 10-[2-(4-fluorophenyl)-4-(4-methylphenyl)quinolin-8-yl]phenoxazine?
The canonical SMILES for 10-[2-(4-fluorophenyl)-4-(4-methylphenyl)quinolin-8-yl]phenoxazine is Cc1ccc(-c2cc(-c3ccc(F)cc3)nc3c(N4c5ccccc5Oc5ccccc54)cccc23)cc1.
What is the InChIKey of 10-[2-(4-fluorophenyl)-4-(4-methylphenyl)quinolin-8-yl]phenoxazine?
The InChIKey is NKISHRXAHLLJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23FN2O/c1-22-13-15-23(16-14-22)27-21-28(24-17-19-25(35)20-18-24)36-34-26(27)7-6-10-31(34)37-29-8-2-4-11-32(29)38-33-12-5-3-9-30(33)37/h2-21H,1H3.
What are the key properties of 10-[2-(4-fluorophenyl)-4-(4-methylphenyl)quinolin-8-yl]phenoxazine?
10-[2-(4-fluorophenyl)-4-(4-methylphenyl)quinolin-8-yl]phenoxazine has a molecular weight of 494.57 g/mol, XLogP of 9.59, 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-(4-methylphenyl)quinolin-8-yl]phenoxazine is sourced from PubChem (CID 176668986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).