4-(3,3,3-trifluoropropyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]-N-[4-[5-[4-[4-(3,3,3-trifluoropropyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]anilino]phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]aniline

C54H44F12N2O2S — CID 134467200

IUPAC4-(3,3,3-trifluoropropyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]-N-[4-[5-[4-[4-(3,3,3-trifluoropropyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]anilino]phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]aniline
SMILESFC(F)(F)CCc1ccc(N(c2ccc(CCC(F)(F)F)cc2)c2ccc(-c3sc(-c4ccc(N(c5ccc(CCC(F)(F)F)cc5)c5ccc(CCC(F)(F)F)cc5)cc4)c4c3OCCO4)cc2)cc1
InChIInChI=1S/C54H44F12N2O2S/c55-51(56,57)29-25-35-1-13-41(14-2-35)67(42-15-3-36(4-16-42)26-30-52(58,59)60)45-21-9-39(10-22-45)49-47-48(70-34-33-69-47)50(71-49)40-11-23-46(24-12-40)68(43-17-5-37(6-18-43)27-31-53(61,62)63)44-19-7-38(8-20-44)28-32-54(64,65)66/h1-24H,25-34H2
InChIKeyJZTBOTAQOOPPMZ-UHFFFAOYSA-N
MW1013.00 g/mol
LogP17.77
Rot. Bonds16

About 4-(3,3,3-trifluoropropyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]-N-[4-[5-[4-[4-(3,3,3-trifluoropropyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]anilino]phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]aniline

4-(3,3,3-trifluoropropyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]-N-[4-[5-[4-[4-(3,3,3-trifluoropropyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]anilino]phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]aniline (PubChem CID 134467200) has the molecular formula C54H44F12N2O2S and a molecular weight of 1013.00 g/mol. Its IUPAC name is 4-(3,3,3-trifluoropropyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]-N-[4-[5-[4-[4-(3,3,3-trifluoropropyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]anilino]phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]aniline.

Molecular Properties

Compound Name4-(3,3,3-trifluoropropyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]-N-[4-[5-[4-[4-(3,3,3-trifluoropropyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]anilino]phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]aniline
PubChem CID134467200
Molecular FormulaC54H44F12N2O2S
Molecular Weight1013.00 g/mol
Exact Mass1012.29
IUPAC Name4-(3,3,3-trifluoropropyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]-N-[4-[5-[4-[4-(3,3,3-trifluoropropyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]anilino]phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]aniline
SMILESFC(F)(F)CCc1ccc(N(c2ccc(CCC(F)(F)F)cc2)c2ccc(-c3sc(-c4ccc(N(c5ccc(CCC(F)(F)F)cc5)c5ccc(CCC(F)(F)F)cc5)cc4)c4c3OCCO4)cc2)cc1
InChIInChI=1S/C54H44F12N2O2S/c55-51(56,57)29-25-35-1-13-41(14-2-35)67(42-15-3-36(4-16-42)26-30-52(58,59)60)45-21-9-39(10-22-45)49-47-48(70-34-33-69-47)50(71-49)40-11-23-46(24-12-40)68(43-17-5-37(6-18-43)27-31-53(61,62)63)44-19-7-38(8-20-44)28-32-54(64,65)66/h1-24H,25-34H2
InChIKeyJZTBOTAQOOPPMZ-UHFFFAOYSA-N
XLogP17.77
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001013.00
LogP ≤ 517.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(3,3,3-trifluoropropyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]-N-[4-[5-[4-[4-(3,3,3-trifluoropropyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]anilino]phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]aniline with MolForge

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Related Compounds

2-{4-[N,N-bis(4-hexyloxyphenyl)amino]phenyl}-3,4-(ethylenedioxy)thiophene
CID 58526576
2-[4-[(E)-2-[7-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]ethenyl]-3-cyano-5-(4-phenylphenyl)-5-(trifluoromethyl)furan-2-ylidene]propanedinitrile
CID 88966386
4,4'-(2,3-Dihydrothieno[3,4-b][1,4]dioxine-5,7-diyl)bis[N,N-bis(4-methoxyphenyl)aniline]
CID 102130343
4-propyl-N-(4-propylphenyl)-N-[4-[5-[4-[4-(3,3,3-trifluoropropyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]anilino]phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]aniline
CID 134463557
N,N-bis(4-propoxyphenyl)-4-[2-[4-(4-propoxy-N-(4-propoxyphenyl)anilino)phenyl]-4,5-bis[4-[4-(3,3,3-trifluoropropoxy)-N-[4-(3,3,3-trifluoropropoxy)phenyl]anilino]phenyl]thiophen-3-yl]aniline
CID 134463566
N,N-bis[4-(3,3,3-trifluoropropoxy)phenyl]-4-[2,4,5-tris[4-[4-(3,3,3-trifluoropropoxy)-N-[4-(3,3,3-trifluoropropoxy)phenyl]anilino]phenyl]thiophen-3-yl]aniline
CID 134467274
10-(3,5-Difluorophenyl)-3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenothiazine
CID 142713020
2-[4-[(E)-2-[7-[(E)-2-[4-[bis(2-triphenylsilyloxyethyl)amino]phenyl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]ethenyl]-3-cyano-5-(4-phenylphenyl)-5-(trifluoromethyl)furan-2-ylidene]propanedinitrile
CID 173554113
E,E-2,5-Bis(4-[bis(4-methoxyphenyl)amino]styryl)-3,4-di(n-butoxy)thiophene
CID 101585351
2-[[3-cyano-4-hexoxy-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]methylidene]propanedinitrile
CID 139192755
N,N-bis(4-hexoxyphenyl)-4-(4-thiatricyclo[5.2.2.02,6]undeca-2,5,8-trien-3-yl)aniline
CID 139256801
4-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N,N-bis(4-hexoxyphenyl)aniline
CID 139256808

Frequently Asked Questions

What is the IUPAC name of 4-(3,3,3-trifluoropropyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]-N-[4-[5-[4-[4-(3,3,3-trifluoropropyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]anilino]phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]aniline?
The IUPAC name of 4-(3,3,3-trifluoropropyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]-N-[4-[5-[4-[4-(3,3,3-trifluoropropyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]anilino]phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]aniline (CID 134467200) is 4-(3,3,3-trifluoropropyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]-N-[4-[5-[4-[4-(3,3,3-trifluoropropyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]anilino]phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]aniline.
What is the SMILES notation for 4-(3,3,3-trifluoropropyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]-N-[4-[5-[4-[4-(3,3,3-trifluoropropyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]anilino]phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]aniline?
The canonical SMILES for 4-(3,3,3-trifluoropropyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]-N-[4-[5-[4-[4-(3,3,3-trifluoropropyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]anilino]phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]aniline is FC(F)(F)CCc1ccc(N(c2ccc(CCC(F)(F)F)cc2)c2ccc(-c3sc(-c4ccc(N(c5ccc(CCC(F)(F)F)cc5)c5ccc(CCC(F)(F)F)cc5)cc4)c4c3OCCO4)cc2)cc1.
What is the InChIKey of 4-(3,3,3-trifluoropropyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]-N-[4-[5-[4-[4-(3,3,3-trifluoropropyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]anilino]phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]aniline?
The InChIKey is JZTBOTAQOOPPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H44F12N2O2S/c55-51(56,57)29-25-35-1-13-41(14-2-35)67(42-15-3-36(4-16-42)26-30-52(58,59)60)45-21-9-39(10-22-45)49-47-48(70-34-33-69-47)50(71-49)40-11-23-46(24-12-40)68(43-17-5-37(6-18-43)27-31-53(61,62)63)44-19-7-38(8-20-44)28-32-54(64,65)66/h1-24H,25-34H2.
What are the key properties of 4-(3,3,3-trifluoropropyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]-N-[4-[5-[4-[4-(3,3,3-trifluoropropyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]anilino]phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]aniline?
4-(3,3,3-trifluoropropyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]-N-[4-[5-[4-[4-(3,3,3-trifluoropropyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]anilino]phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]aniline has a molecular weight of 1013.00 g/mol, XLogP of 17.77, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,3-trifluoropropyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]-N-[4-[5-[4-[4-(3,3,3-trifluoropropyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]anilino]phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]aniline is sourced from PubChem (CID 134467200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).