2-(4-methoxyphenyl)-5-[2,2,2-trifluoro-1-[2-(4-methoxyphenyl)-4H-furo[3,2-b]pyrrol-5-yl]ethylidene]furo[3,2-b]pyrrole

C28H19F3N2O4 — CID 76601921

IUPAC2-(4-methoxyphenyl)-5-[2,2,2-trifluoro-1-[2-(4-methoxyphenyl)-4H-furo[3,2-b]pyrrol-5-yl]ethylidene]furo[3,2-b]pyrrole
SMILESCOc1ccc(-c2cc3c(o2)=CC(=C(c2cc4oc(-c5ccc(OC)cc5)cc4[nH]2)C(F)(F)F)N=3)cc1
InChIInChI=1S/C28H19F3N2O4/c1-34-17-7-3-15(4-8-17)23-11-19-25(36-23)13-21(32-19)27(28(29,30)31)22-14-26-20(33-22)12-24(37-26)16-5-9-18(35-2)10-6-16/h3-14,32H,1-2H3
InChIKeyFAFSOHDUKCHVTE-UHFFFAOYSA-N
MW504.46 g/mol
LogP6.09
Rot. Bonds5

About 2-(4-methoxyphenyl)-5-[2,2,2-trifluoro-1-[2-(4-methoxyphenyl)-4H-furo[3,2-b]pyrrol-5-yl]ethylidene]furo[3,2-b]pyrrole

2-(4-methoxyphenyl)-5-[2,2,2-trifluoro-1-[2-(4-methoxyphenyl)-4H-furo[3,2-b]pyrrol-5-yl]ethylidene]furo[3,2-b]pyrrole (PubChem CID 76601921) has the molecular formula C28H19F3N2O4 and a molecular weight of 504.46 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-[2,2,2-trifluoro-1-[2-(4-methoxyphenyl)-4H-furo[3,2-b]pyrrol-5-yl]ethylidene]furo[3,2-b]pyrrole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-[2,2,2-trifluoro-1-[2-(4-methoxyphenyl)-4H-furo[3,2-b]pyrrol-5-yl]ethylidene]furo[3,2-b]pyrrole
PubChem CID76601921
Molecular FormulaC28H19F3N2O4
Molecular Weight504.46 g/mol
Exact Mass504.13
IUPAC Name2-(4-methoxyphenyl)-5-[2,2,2-trifluoro-1-[2-(4-methoxyphenyl)-4H-furo[3,2-b]pyrrol-5-yl]ethylidene]furo[3,2-b]pyrrole
SMILESCOc1ccc(-c2cc3c(o2)=CC(=C(c2cc4oc(-c5ccc(OC)cc5)cc4[nH]2)C(F)(F)F)N=3)cc1
InChIInChI=1S/C28H19F3N2O4/c1-34-17-7-3-15(4-8-17)23-11-19-25(36-23)13-21(32-19)27(28(29,30)31)22-14-26-20(33-22)12-24(37-26)16-5-9-18(35-2)10-6-16/h3-14,32H,1-2H3
InChIKeyFAFSOHDUKCHVTE-UHFFFAOYSA-N
XLogP6.09
TPSA72.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.46
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-[2,2,2-trifluoro-1-[2-(4-methoxyphenyl)-4H-furo[3,2-b]pyrrol-5-yl]ethylidene]furo[3,2-b]pyrrole?
The IUPAC name of 2-(4-methoxyphenyl)-5-[2,2,2-trifluoro-1-[2-(4-methoxyphenyl)-4H-furo[3,2-b]pyrrol-5-yl]ethylidene]furo[3,2-b]pyrrole (CID 76601921) is 2-(4-methoxyphenyl)-5-[2,2,2-trifluoro-1-[2-(4-methoxyphenyl)-4H-furo[3,2-b]pyrrol-5-yl]ethylidene]furo[3,2-b]pyrrole.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-[2,2,2-trifluoro-1-[2-(4-methoxyphenyl)-4H-furo[3,2-b]pyrrol-5-yl]ethylidene]furo[3,2-b]pyrrole?
The canonical SMILES for 2-(4-methoxyphenyl)-5-[2,2,2-trifluoro-1-[2-(4-methoxyphenyl)-4H-furo[3,2-b]pyrrol-5-yl]ethylidene]furo[3,2-b]pyrrole is COc1ccc(-c2cc3c(o2)=CC(=C(c2cc4oc(-c5ccc(OC)cc5)cc4[nH]2)C(F)(F)F)N=3)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-[2,2,2-trifluoro-1-[2-(4-methoxyphenyl)-4H-furo[3,2-b]pyrrol-5-yl]ethylidene]furo[3,2-b]pyrrole?
The InChIKey is FAFSOHDUKCHVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19F3N2O4/c1-34-17-7-3-15(4-8-17)23-11-19-25(36-23)13-21(32-19)27(28(29,30)31)22-14-26-20(33-22)12-24(37-26)16-5-9-18(35-2)10-6-16/h3-14,32H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-5-[2,2,2-trifluoro-1-[2-(4-methoxyphenyl)-4H-furo[3,2-b]pyrrol-5-yl]ethylidene]furo[3,2-b]pyrrole?
2-(4-methoxyphenyl)-5-[2,2,2-trifluoro-1-[2-(4-methoxyphenyl)-4H-furo[3,2-b]pyrrol-5-yl]ethylidene]furo[3,2-b]pyrrole has a molecular weight of 504.46 g/mol, XLogP of 6.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-[2,2,2-trifluoro-1-[2-(4-methoxyphenyl)-4H-furo[3,2-b]pyrrol-5-yl]ethylidene]furo[3,2-b]pyrrole is sourced from PubChem (CID 76601921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).