10-[4-(4-tert-butylphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine

C38H29F3N2O — CID 176668800

IUPAC10-[4-(4-tert-butylphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine
SMILESCC(C)(C)c1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c(N4c5ccccc5Oc5ccccc54)cccc23)cc1
InChIInChI=1S/C38H29F3N2O/c1-37(2,3)26-19-15-24(16-20-26)29-23-30(25-17-21-27(22-18-25)38(39,40)41)42-36-28(29)9-8-12-33(36)43-31-10-4-6-13-34(31)44-35-14-7-5-11-32(35)43/h4-23H,1-3H3
InChIKeyLHEIMPKOIBQLRD-UHFFFAOYSA-N
MW586.66 g/mol
LogP11.46
Rot. Bonds3

About 10-[4-(4-tert-butylphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine

10-[4-(4-tert-butylphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine (PubChem CID 176668800) has the molecular formula C38H29F3N2O and a molecular weight of 586.66 g/mol. Its IUPAC name is 10-[4-(4-tert-butylphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine.

Molecular Properties

Compound Name10-[4-(4-tert-butylphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine
PubChem CID176668800
Molecular FormulaC38H29F3N2O
Molecular Weight586.66 g/mol
Exact Mass586.22
IUPAC Name10-[4-(4-tert-butylphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine
SMILESCC(C)(C)c1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c(N4c5ccccc5Oc5ccccc54)cccc23)cc1
InChIInChI=1S/C38H29F3N2O/c1-37(2,3)26-19-15-24(16-20-26)29-23-30(25-17-21-27(22-18-25)38(39,40)41)42-36-28(29)9-8-12-33(36)43-31-10-4-6-13-34(31)44-35-14-7-5-11-32(35)43/h4-23H,1-3H3
InChIKeyLHEIMPKOIBQLRD-UHFFFAOYSA-N
XLogP11.46
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.66
LogP ≤ 511.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Quinoline, 2-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-
CID 3044972
4-Phenyl-3-[4-(4-phenyl-2-quinolyl)phenoxy]-2-(p-tolyl)quinoline
CID 57403885
10-[4-[6,7-Difluoro-3-(4-phenoxazin-10-ylphenyl)quinoxalin-2-yl]phenyl]phenoxazine
CID 139188327
Fdqpxz
CID 145766039
2,9-Bis[(4-methoxyphenyl)methyl]-1,10-phenanthroline
CID 67372925
2-[[4-(4-Fluoro-2-methoxyphenyl)piperazin-1-yl]methyl]quinoline
CID 17954942
1-(4-Fluoro-2-methoxyphenyl)-4-(8-methylquinoline-2-ylmethyl)piperazine
CID 17955113
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-Fluoro-2-[[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methyl]quinoline
CID 69973426
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-(4-tert-butylphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine?
The IUPAC name of 10-[4-(4-tert-butylphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine (CID 176668800) is 10-[4-(4-tert-butylphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine.
What is the SMILES notation for 10-[4-(4-tert-butylphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine?
The canonical SMILES for 10-[4-(4-tert-butylphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine is CC(C)(C)c1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c(N4c5ccccc5Oc5ccccc54)cccc23)cc1.
What is the InChIKey of 10-[4-(4-tert-butylphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine?
The InChIKey is LHEIMPKOIBQLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H29F3N2O/c1-37(2,3)26-19-15-24(16-20-26)29-23-30(25-17-21-27(22-18-25)38(39,40)41)42-36-28(29)9-8-12-33(36)43-31-10-4-6-13-34(31)44-35-14-7-5-11-32(35)43/h4-23H,1-3H3.
What are the key properties of 10-[4-(4-tert-butylphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine?
10-[4-(4-tert-butylphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine has a molecular weight of 586.66 g/mol, XLogP of 11.46, 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-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine is sourced from PubChem (CID 176668800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).