6-hydroxy-5-methyl-1,4-bis[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]thiophen-2-yl]pyrrolo[3,4-c]pyrrol-3-one

C33H20F6N2O2S2 — CID 137052356

IUPAC6-hydroxy-5-methyl-1,4-bis[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]thiophen-2-yl]pyrrolo[3,4-c]pyrrol-3-one
SMILESCn1c(O)c2c(c1-c1ccc(C=Cc3ccc(C(F)(F)F)cc3)s1)C(=O)N=C2c1ccc(C=Cc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C33H20F6N2O2S2/c1-41-29(25-17-15-23(45-25)13-7-19-4-10-21(11-5-19)33(37,38)39)27-26(31(41)43)28(40-30(27)42)24-16-14-22(44-24)12-6-18-2-8-20(9-3-18)32(34,35)36/h2-17,43H,1H3
InChIKeyZOYKQYHYKYGSFO-UHFFFAOYSA-N
MW654.66 g/mol
LogP9.89
Rot. Bonds6

About 6-hydroxy-5-methyl-1,4-bis[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]thiophen-2-yl]pyrrolo[3,4-c]pyrrol-3-one

6-hydroxy-5-methyl-1,4-bis[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]thiophen-2-yl]pyrrolo[3,4-c]pyrrol-3-one (PubChem CID 137052356) has the molecular formula C33H20F6N2O2S2 and a molecular weight of 654.66 g/mol. Its IUPAC name is 6-hydroxy-5-methyl-1,4-bis[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]thiophen-2-yl]pyrrolo[3,4-c]pyrrol-3-one.

Molecular Properties

Compound Name6-hydroxy-5-methyl-1,4-bis[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]thiophen-2-yl]pyrrolo[3,4-c]pyrrol-3-one
PubChem CID137052356
Molecular FormulaC33H20F6N2O2S2
Molecular Weight654.66 g/mol
Exact Mass654.09
IUPAC Name6-hydroxy-5-methyl-1,4-bis[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]thiophen-2-yl]pyrrolo[3,4-c]pyrrol-3-one
SMILESCn1c(O)c2c(c1-c1ccc(C=Cc3ccc(C(F)(F)F)cc3)s1)C(=O)N=C2c1ccc(C=Cc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C33H20F6N2O2S2/c1-41-29(25-17-15-23(45-25)13-7-19-4-10-21(11-5-19)33(37,38)39)27-26(31(41)43)28(40-30(27)42)24-16-14-22(44-24)12-6-18-2-8-20(9-3-18)32(34,35)36/h2-17,43H,1H3
InChIKeyZOYKQYHYKYGSFO-UHFFFAOYSA-N
XLogP9.89
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.66
LogP ≤ 59.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-methyl-1,4-bis[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]thiophen-2-yl]pyrrolo[3,4-c]pyrrol-3-one?
The IUPAC name of 6-hydroxy-5-methyl-1,4-bis[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]thiophen-2-yl]pyrrolo[3,4-c]pyrrol-3-one (CID 137052356) is 6-hydroxy-5-methyl-1,4-bis[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]thiophen-2-yl]pyrrolo[3,4-c]pyrrol-3-one.
What is the SMILES notation for 6-hydroxy-5-methyl-1,4-bis[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]thiophen-2-yl]pyrrolo[3,4-c]pyrrol-3-one?
The canonical SMILES for 6-hydroxy-5-methyl-1,4-bis[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]thiophen-2-yl]pyrrolo[3,4-c]pyrrol-3-one is Cn1c(O)c2c(c1-c1ccc(C=Cc3ccc(C(F)(F)F)cc3)s1)C(=O)N=C2c1ccc(C=Cc2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of 6-hydroxy-5-methyl-1,4-bis[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]thiophen-2-yl]pyrrolo[3,4-c]pyrrol-3-one?
The InChIKey is ZOYKQYHYKYGSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20F6N2O2S2/c1-41-29(25-17-15-23(45-25)13-7-19-4-10-21(11-5-19)33(37,38)39)27-26(31(41)43)28(40-30(27)42)24-16-14-22(44-24)12-6-18-2-8-20(9-3-18)32(34,35)36/h2-17,43H,1H3.
What are the key properties of 6-hydroxy-5-methyl-1,4-bis[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]thiophen-2-yl]pyrrolo[3,4-c]pyrrol-3-one?
6-hydroxy-5-methyl-1,4-bis[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]thiophen-2-yl]pyrrolo[3,4-c]pyrrol-3-one has a molecular weight of 654.66 g/mol, XLogP of 9.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-methyl-1,4-bis[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]thiophen-2-yl]pyrrolo[3,4-c]pyrrol-3-one is sourced from PubChem (CID 137052356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).