10-[4-(4-tert-butylphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenoxazine

C38H31FN2O — CID 176669047

IUPAC10-[4-(4-tert-butylphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenoxazine
SMILESCc1ccc(N2c3ccccc3Oc3ccccc32)c2nc(-c3ccc(F)cc3)cc(-c3ccc(C(C)(C)C)cc3)c12
InChIInChI=1S/C38H31FN2O/c1-24-13-22-33(41-31-9-5-7-11-34(31)42-35-12-8-6-10-32(35)41)37-36(24)29(25-14-18-27(19-15-25)38(2,3)4)23-30(40-37)26-16-20-28(39)21-17-26/h5-23H,1-4H3
InChIKeyFINQHUUMKKPJBF-UHFFFAOYSA-N
MW550.68 g/mol
LogP10.89
Rot. Bonds3

About 10-[4-(4-tert-butylphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenoxazine

10-[4-(4-tert-butylphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenoxazine (PubChem CID 176669047) has the molecular formula C38H31FN2O and a molecular weight of 550.68 g/mol. Its IUPAC name is 10-[4-(4-tert-butylphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenoxazine.

Molecular Properties

Compound Name10-[4-(4-tert-butylphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenoxazine
PubChem CID176669047
Molecular FormulaC38H31FN2O
Molecular Weight550.68 g/mol
Exact Mass550.24
IUPAC Name10-[4-(4-tert-butylphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenoxazine
SMILESCc1ccc(N2c3ccccc3Oc3ccccc32)c2nc(-c3ccc(F)cc3)cc(-c3ccc(C(C)(C)C)cc3)c12
InChIInChI=1S/C38H31FN2O/c1-24-13-22-33(41-31-9-5-7-11-34(31)42-35-12-8-6-10-32(35)41)37-36(24)29(25-14-18-27(19-15-25)38(2,3)4)23-30(40-37)26-16-20-28(39)21-17-26/h5-23H,1-4H3
InChIKeyFINQHUUMKKPJBF-UHFFFAOYSA-N
XLogP10.89
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.68
LogP ≤ 510.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-[4-[6,7-Difluoro-3-(4-phenoxazin-10-ylphenyl)quinoxalin-2-yl]phenyl]phenoxazine
CID 139188327
Fdqpxz
CID 145766039
2-[[4-(4-Fluoro-2-methoxyphenyl)piperazin-1-yl]methyl]quinoline
CID 17954942
6-(9,9-Dimethylacridin-10-yl)-3-fluoro-10-phenoxazin-10-ylphenanthro[9,10-b]pyrazine-2-carbonitrile
CID 118912743
4-[4-(4-Cyano-2-methylphenyl)-2-(3,6-difluorocarbazol-9-yl)-3-(2,8-difluorophenoxazin-10-yl)phenyl]-3-methylbenzonitrile
CID 132111916
3-[2-(3-Cyanophenyl)-4-(2,7-difluorocarbazol-9-yl)-5-(2,8-diphenylphenoxazin-10-yl)phenyl]benzonitrile
CID 132112154
2-(4-Fluorophenyl)-3-[2-(4-fluorophenyl)-4-phenylquinolin-3-yl]oxy-4-phenylquinoline
CID 140046543
10-[6-(9,9-Dimethylacridin-10-yl)-3-fluoro-2-isocyanophenanthro[9,10-b]pyrazin-10-yl]phenoxazine
CID 140704120
10-(9-Fluoro-6-phenoxazin-10-ylcarbazol-3-yl)phenoxazine
CID 144840668
10-[4-(6-Fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)-2,5-dimethylphenyl]phenoxazine
CID 145413567
4-(2,5-Dimethyl-4-phenoxazin-10-ylphenyl)-2-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene-12,13-dicarbonitrile
CID 145413572
6-(2,5-Dimethyl-4-phenoxazin-10-ylphenyl)-3-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene-12,13-dicarbonitrile
CID 145413680

Frequently Asked Questions

What is the IUPAC name of 10-[4-(4-tert-butylphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenoxazine?
The IUPAC name of 10-[4-(4-tert-butylphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenoxazine (CID 176669047) is 10-[4-(4-tert-butylphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenoxazine.
What is the SMILES notation for 10-[4-(4-tert-butylphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenoxazine?
The canonical SMILES for 10-[4-(4-tert-butylphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenoxazine is Cc1ccc(N2c3ccccc3Oc3ccccc32)c2nc(-c3ccc(F)cc3)cc(-c3ccc(C(C)(C)C)cc3)c12.
What is the InChIKey of 10-[4-(4-tert-butylphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenoxazine?
The InChIKey is FINQHUUMKKPJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H31FN2O/c1-24-13-22-33(41-31-9-5-7-11-34(31)42-35-12-8-6-10-32(35)41)37-36(24)29(25-14-18-27(19-15-25)38(2,3)4)23-30(40-37)26-16-20-28(39)21-17-26/h5-23H,1-4H3.
What are the key properties of 10-[4-(4-tert-butylphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenoxazine?
10-[4-(4-tert-butylphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenoxazine has a molecular weight of 550.68 g/mol, XLogP of 10.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(4-tert-butylphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenoxazine is sourced from PubChem (CID 176669047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).