10-(2-morpholin-4-ylethyl)-2,8-bis[2-(trifluoromethyl)-1H-indol-5-yl]phenoxazine

C36H28F6N4O2 — CID 171073583

IUPAC10-(2-morpholin-4-ylethyl)-2,8-bis[2-(trifluoromethyl)-1H-indol-5-yl]phenoxazine
SMILESFC(F)(F)c1cc2cc(-c3ccc4c(c3)N(CCN3CCOCC3)c3cc(-c5ccc6[nH]c(C(F)(F)F)cc6c5)ccc3O4)ccc2[nH]1
InChIInChI=1S/C36H28F6N4O2/c37-35(38,39)33-19-25-15-21(1-5-27(25)43-33)23-3-7-31-29(17-23)46(10-9-45-11-13-47-14-12-45)30-18-24(4-8-32(30)48-31)22-2-6-28-26(16-22)20-34(44-28)36(40,41)42/h1-8,15-20,43-44H,9-14H2
InChIKeyBDARYINDPUOARB-UHFFFAOYSA-N
MW662.63 g/mol
LogP9.60
Rot. Bonds5

About 10-(2-morpholin-4-ylethyl)-2,8-bis[2-(trifluoromethyl)-1H-indol-5-yl]phenoxazine

10-(2-morpholin-4-ylethyl)-2,8-bis[2-(trifluoromethyl)-1H-indol-5-yl]phenoxazine (PubChem CID 171073583) has the molecular formula C36H28F6N4O2 and a molecular weight of 662.63 g/mol. Its IUPAC name is 10-(2-morpholin-4-ylethyl)-2,8-bis[2-(trifluoromethyl)-1H-indol-5-yl]phenoxazine.

Molecular Properties

Compound Name10-(2-morpholin-4-ylethyl)-2,8-bis[2-(trifluoromethyl)-1H-indol-5-yl]phenoxazine
PubChem CID171073583
Molecular FormulaC36H28F6N4O2
Molecular Weight662.63 g/mol
Exact Mass662.21
IUPAC Name10-(2-morpholin-4-ylethyl)-2,8-bis[2-(trifluoromethyl)-1H-indol-5-yl]phenoxazine
SMILESFC(F)(F)c1cc2cc(-c3ccc4c(c3)N(CCN3CCOCC3)c3cc(-c5ccc6[nH]c(C(F)(F)F)cc6c5)ccc3O4)ccc2[nH]1
InChIInChI=1S/C36H28F6N4O2/c37-35(38,39)33-19-25-15-21(1-5-27(25)43-33)23-3-7-31-29(17-23)46(10-9-45-11-13-47-14-12-45)30-18-24(4-8-32(30)48-31)22-2-6-28-26(16-22)20-34(44-28)36(40,41)42/h1-8,15-20,43-44H,9-14H2
InChIKeyBDARYINDPUOARB-UHFFFAOYSA-N
XLogP9.60
TPSA56.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.63
LogP ≤ 59.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_666_B(3)', 'substructure': 'N/A'}

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Related Compounds

[2-[4-[4-[6-(morpholine-4-carboximidoyl)-1H-indol-2-yl]phenoxy]phenyl]-1H-indol-6-yl]-morpholin-4-ylmethanimine
CID 137641108
(2R,14R,17S)-9,14-dimethoxy-1,5,19-triazaheptacyclo[15.11.0.02,14.04,12.06,11.018,26.020,25]octacosa-4(12),6(11),7,9,18(26),20,22,24-octaene
CID 168355637
US20240043442, Example 2
CID 130330711
US20240043442, Example 3
CID 130330715
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-9H-carbazole
CID 44212234
5-fluoro-3-[4-[4-(6-fluoro-3,4-dihydro-2H-chromen-8-yl)piperazin-1-yl]cyclohexyl]-1H-indole
CID 10225934
2-[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]-8-phenoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 11700029
1'-(2-Phenoxyethyl)-6-(trifluoromethyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-pyrrolidine]
CID 11957769
2-[10-Fluoro-6-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanol
CID 44817836
6-[(3-Fluoro-4-methoxyphenyl)methyl]-3-(2-methoxyethyl)-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridine
CID 44819452
2,10-Difluoro-6-(2-piperidin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole
CID 45139067
4-[2-[(2,10-Difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]morpholine
CID 59238906

Frequently Asked Questions

What is the IUPAC name of 10-(2-morpholin-4-ylethyl)-2,8-bis[2-(trifluoromethyl)-1H-indol-5-yl]phenoxazine?
The IUPAC name of 10-(2-morpholin-4-ylethyl)-2,8-bis[2-(trifluoromethyl)-1H-indol-5-yl]phenoxazine (CID 171073583) is 10-(2-morpholin-4-ylethyl)-2,8-bis[2-(trifluoromethyl)-1H-indol-5-yl]phenoxazine.
What is the SMILES notation for 10-(2-morpholin-4-ylethyl)-2,8-bis[2-(trifluoromethyl)-1H-indol-5-yl]phenoxazine?
The canonical SMILES for 10-(2-morpholin-4-ylethyl)-2,8-bis[2-(trifluoromethyl)-1H-indol-5-yl]phenoxazine is FC(F)(F)c1cc2cc(-c3ccc4c(c3)N(CCN3CCOCC3)c3cc(-c5ccc6[nH]c(C(F)(F)F)cc6c5)ccc3O4)ccc2[nH]1.
What is the InChIKey of 10-(2-morpholin-4-ylethyl)-2,8-bis[2-(trifluoromethyl)-1H-indol-5-yl]phenoxazine?
The InChIKey is BDARYINDPUOARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28F6N4O2/c37-35(38,39)33-19-25-15-21(1-5-27(25)43-33)23-3-7-31-29(17-23)46(10-9-45-11-13-47-14-12-45)30-18-24(4-8-32(30)48-31)22-2-6-28-26(16-22)20-34(44-28)36(40,41)42/h1-8,15-20,43-44H,9-14H2.
What are the key properties of 10-(2-morpholin-4-ylethyl)-2,8-bis[2-(trifluoromethyl)-1H-indol-5-yl]phenoxazine?
10-(2-morpholin-4-ylethyl)-2,8-bis[2-(trifluoromethyl)-1H-indol-5-yl]phenoxazine has a molecular weight of 662.63 g/mol, XLogP of 9.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-morpholin-4-ylethyl)-2,8-bis[2-(trifluoromethyl)-1H-indol-5-yl]phenoxazine is sourced from PubChem (CID 171073583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).