5,13-bis[4-(trifluoromethoxy)phenyl]tetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene-8,16-dione

C31H18F6O4 — CID 102183792

IUPAC5,13-bis[4-(trifluoromethoxy)phenyl]tetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene-8,16-dione
SMILESO=C1c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2C2CC1c1ccc(-c3ccc(OC(F)(F)F)cc3)cc1C2=O
InChIInChI=1S/C31H18F6O4/c32-30(33,34)40-20-7-1-16(2-8-20)18-5-11-22-24(13-18)28(38)27-15-26(22)29(39)25-14-19(6-12-23(25)27)17-3-9-21(10-4-17)41-31(35,36)37/h1-14,26-27H,15H2
InChIKeyWZIKFGZMAPCMHJ-UHFFFAOYSA-N
MW568.47 g/mol
LogP8.47
Rot. Bonds4

About 5,13-bis[4-(trifluoromethoxy)phenyl]tetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene-8,16-dione

5,13-bis[4-(trifluoromethoxy)phenyl]tetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene-8,16-dione (PubChem CID 102183792) has the molecular formula C31H18F6O4 and a molecular weight of 568.47 g/mol. Its IUPAC name is 5,13-bis[4-(trifluoromethoxy)phenyl]tetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene-8,16-dione.

Molecular Properties

Compound Name5,13-bis[4-(trifluoromethoxy)phenyl]tetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene-8,16-dione
PubChem CID102183792
Molecular FormulaC31H18F6O4
Molecular Weight568.47 g/mol
Exact Mass568.11
IUPAC Name5,13-bis[4-(trifluoromethoxy)phenyl]tetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene-8,16-dione
SMILESO=C1c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2C2CC1c1ccc(-c3ccc(OC(F)(F)F)cc3)cc1C2=O
InChIInChI=1S/C31H18F6O4/c32-30(33,34)40-20-7-1-16(2-8-20)18-5-11-22-24(13-18)28(38)27-15-26(22)29(39)25-14-19(6-12-23(25)27)17-3-9-21(10-4-17)41-31(35,36)37/h1-14,26-27H,15H2
InChIKeyWZIKFGZMAPCMHJ-UHFFFAOYSA-N
XLogP8.47
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.47
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,13-bis[4-(trifluoromethoxy)phenyl]tetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene-8,16-dione with MolForge

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Related Compounds

2,5-bis[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 162538499
(3aR,10bR)-2-methyl-8-[4-(trifluoromethoxy)phenyl]-1,3,3a,4,5,10b-hexahydropyrrolo[3,4-d][2]benzazepin-6-one
CID 54673835
1-fluoro-3,5-bis[4-(trifluoromethoxy)phenyl]benzene
CID 164895353
[3-[4-(trifluoromethoxy)phenyl]phenyl]methylazanide
CID 157271933
5-(trifluoromethoxy)-2,3-dihydroinden-1-one
CID 22119026
2,4-dichloro-1-[4-(trifluoromethoxy)phenyl]benzene
CID 119008449
7-[3-(trifluoromethoxy)phenyl]-2,3-dihydrochromen-4-one
CID 169422666
2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzoyl chloride
CID 118812281
4-[2-ethyl-4-[4-(trifluoromethoxy)phenyl]phenyl]-2,2,6,6-tetramethyloxane-3,5-dione
CID 91169366
2-fluoro-1-(trifluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]benzene
CID 118845597
2-[4-(trifluoromethoxy)phenyl]-1H-pyridin-4-one
CID 53229611
4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoyl chloride
CID 118845542

Frequently Asked Questions

What is the IUPAC name of 5,13-bis[4-(trifluoromethoxy)phenyl]tetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene-8,16-dione?
The IUPAC name of 5,13-bis[4-(trifluoromethoxy)phenyl]tetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene-8,16-dione (CID 102183792) is 5,13-bis[4-(trifluoromethoxy)phenyl]tetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene-8,16-dione.
What is the SMILES notation for 5,13-bis[4-(trifluoromethoxy)phenyl]tetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene-8,16-dione?
The canonical SMILES for 5,13-bis[4-(trifluoromethoxy)phenyl]tetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene-8,16-dione is O=C1c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2C2CC1c1ccc(-c3ccc(OC(F)(F)F)cc3)cc1C2=O.
What is the InChIKey of 5,13-bis[4-(trifluoromethoxy)phenyl]tetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene-8,16-dione?
The InChIKey is WZIKFGZMAPCMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18F6O4/c32-30(33,34)40-20-7-1-16(2-8-20)18-5-11-22-24(13-18)28(38)27-15-26(22)29(39)25-14-19(6-12-23(25)27)17-3-9-21(10-4-17)41-31(35,36)37/h1-14,26-27H,15H2.
What are the key properties of 5,13-bis[4-(trifluoromethoxy)phenyl]tetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene-8,16-dione?
5,13-bis[4-(trifluoromethoxy)phenyl]tetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene-8,16-dione has a molecular weight of 568.47 g/mol, XLogP of 8.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,13-bis[4-(trifluoromethoxy)phenyl]tetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene-8,16-dione is sourced from PubChem (CID 102183792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).