4,9,14-tris[4-(trifluoromethyl)phenyl]-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene

C33H15F9O3 — CID 139258305

IUPAC4,9,14-tris[4-(trifluoromethyl)phenyl]-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
SMILESFC(F)(F)c1ccc(-c2cc3c(o2)c2cc(-c4ccc(C(F)(F)F)cc4)oc2c2cc(-c4ccc(C(F)(F)F)cc4)oc32)cc1
InChIInChI=1S/C33H15F9O3/c34-31(35,36)19-7-1-16(2-8-19)25-13-22-28(43-25)23-14-26(17-3-9-20(10-4-17)32(37,38)39)45-30(23)24-15-27(44-29(22)24)18-5-11-21(12-6-18)33(40,41)42/h1-15H
InChIKeyYERVIJMWUFBVPV-UHFFFAOYSA-N
MW630.46 g/mol
LogP11.98
Rot. Bonds3

About 4,9,14-tris[4-(trifluoromethyl)phenyl]-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene

4,9,14-tris[4-(trifluoromethyl)phenyl]-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene (PubChem CID 139258305) has the molecular formula C33H15F9O3 and a molecular weight of 630.46 g/mol. Its IUPAC name is 4,9,14-tris[4-(trifluoromethyl)phenyl]-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene.

Molecular Properties

Compound Name4,9,14-tris[4-(trifluoromethyl)phenyl]-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
PubChem CID139258305
Molecular FormulaC33H15F9O3
Molecular Weight630.46 g/mol
Exact Mass630.09
IUPAC Name4,9,14-tris[4-(trifluoromethyl)phenyl]-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
SMILESFC(F)(F)c1ccc(-c2cc3c(o2)c2cc(-c4ccc(C(F)(F)F)cc4)oc2c2cc(-c4ccc(C(F)(F)F)cc4)oc32)cc1
InChIInChI=1S/C33H15F9O3/c34-31(35,36)19-7-1-16(2-8-19)25-13-22-28(43-25)23-14-26(17-3-9-20(10-4-17)32(37,38)39)45-30(23)24-15-27(44-29(22)24)18-5-11-21(12-6-18)33(40,41)42/h1-15H
InChIKeyYERVIJMWUFBVPV-UHFFFAOYSA-N
XLogP11.98
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.46
LogP ≤ 511.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,9,14-tris[4-(trifluoromethyl)phenyl]-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2,3,4,5,6-pentakis[5-[4-(trifluoromethyl)phenyl]furan-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]furan
CID 71615619
6-bromo-2-[4-(trifluoromethyl)phenyl]chromen-4-one
CID 71741264
3-fluoro-5-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]furan
CID 102053804
[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]methanamine
CID 121237669
2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]furan-3-carboxylic acid
CID 2778104
1-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]ethanone
CID 23074393
1,3-bis[4-(trifluoromethyl)phenyl]-2-benzofuran
CID 11961545
2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]furan
CID 132514370
2-chloro-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 71060395
2-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]acetonitrile
CID 23074381
2-methyl-3-(4-methyl-1,3-dioxetan-2-yl)-5-[4-(trifluoromethyl)phenyl]furan
CID 70888488
6,7-dimethoxy-2-[[7-methoxy-2-[4-(trifluoromethyl)phenyl]-1-benzofuran-4-yl]methyl]-3,4-dihydro-1H-isoquinoline
CID 11477503

Frequently Asked Questions

What is the IUPAC name of 4,9,14-tris[4-(trifluoromethyl)phenyl]-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene?
The IUPAC name of 4,9,14-tris[4-(trifluoromethyl)phenyl]-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene (CID 139258305) is 4,9,14-tris[4-(trifluoromethyl)phenyl]-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene.
What is the SMILES notation for 4,9,14-tris[4-(trifluoromethyl)phenyl]-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene?
The canonical SMILES for 4,9,14-tris[4-(trifluoromethyl)phenyl]-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene is FC(F)(F)c1ccc(-c2cc3c(o2)c2cc(-c4ccc(C(F)(F)F)cc4)oc2c2cc(-c4ccc(C(F)(F)F)cc4)oc32)cc1.
What is the InChIKey of 4,9,14-tris[4-(trifluoromethyl)phenyl]-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene?
The InChIKey is YERVIJMWUFBVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H15F9O3/c34-31(35,36)19-7-1-16(2-8-19)25-13-22-28(43-25)23-14-26(17-3-9-20(10-4-17)32(37,38)39)45-30(23)24-15-27(44-29(22)24)18-5-11-21(12-6-18)33(40,41)42/h1-15H.
What are the key properties of 4,9,14-tris[4-(trifluoromethyl)phenyl]-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene?
4,9,14-tris[4-(trifluoromethyl)phenyl]-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene has a molecular weight of 630.46 g/mol, XLogP of 11.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9,14-tris[4-(trifluoromethyl)phenyl]-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene is sourced from PubChem (CID 139258305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).