5-[2-[9-[2-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]fluoren-9-yl]phenoxy]-2-benzofuran-1,3-dione

C41H22O8 — CID 155147619

IUPAC5-[2-[9-[2-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]fluoren-9-yl]phenoxy]-2-benzofuran-1,3-dione
SMILESO=C1OC(=O)c2cc(Oc3ccccc3C3(c4ccccc4Oc4ccc5c(c4)C(=O)OC5=O)c4ccccc4-c4ccccc43)ccc21
InChIInChI=1S/C41H22O8/c42-37-27-19-17-23(21-29(27)39(44)48-37)46-35-15-7-5-13-33(35)41(31-11-3-1-9-25(31)26-10-2-4-12-32(26)41)34-14-6-8-16-36(34)47-24-18-20-28-30(22-24)40(45)49-38(28)43/h1-22H
InChIKeyPYWUFEXWIIRRHV-UHFFFAOYSA-N
MW642.62 g/mol
LogP8.26
Rot. Bonds6

About 5-[2-[9-[2-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]fluoren-9-yl]phenoxy]-2-benzofuran-1,3-dione

5-[2-[9-[2-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]fluoren-9-yl]phenoxy]-2-benzofuran-1,3-dione (PubChem CID 155147619) has the molecular formula C41H22O8 and a molecular weight of 642.62 g/mol. Its IUPAC name is 5-[2-[9-[2-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]fluoren-9-yl]phenoxy]-2-benzofuran-1,3-dione.

Molecular Properties

Compound Name5-[2-[9-[2-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]fluoren-9-yl]phenoxy]-2-benzofuran-1,3-dione
PubChem CID155147619
Molecular FormulaC41H22O8
Molecular Weight642.62 g/mol
Exact Mass642.13
IUPAC Name5-[2-[9-[2-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]fluoren-9-yl]phenoxy]-2-benzofuran-1,3-dione
SMILESO=C1OC(=O)c2cc(Oc3ccccc3C3(c4ccccc4Oc4ccc5c(c4)C(=O)OC5=O)c4ccccc4-c4ccccc43)ccc21
InChIInChI=1S/C41H22O8/c42-37-27-19-17-23(21-29(27)39(44)48-37)46-35-15-7-5-13-33(35)41(31-11-3-1-9-25(31)26-10-2-4-12-32(26)41)34-14-6-8-16-36(34)47-24-18-20-28-30(22-24)40(45)49-38(28)43/h1-22H
InChIKeyPYWUFEXWIIRRHV-UHFFFAOYSA-N
XLogP8.26
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.62
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 5-[2-[9-[2-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]fluoren-9-yl]phenoxy]-2-benzofuran-1,3-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-[9-[2-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]fluoren-9-yl]phenoxy]-2-benzofuran-1,3-dione?
The IUPAC name of 5-[2-[9-[2-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]fluoren-9-yl]phenoxy]-2-benzofuran-1,3-dione (CID 155147619) is 5-[2-[9-[2-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]fluoren-9-yl]phenoxy]-2-benzofuran-1,3-dione.
What is the SMILES notation for 5-[2-[9-[2-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]fluoren-9-yl]phenoxy]-2-benzofuran-1,3-dione?
The canonical SMILES for 5-[2-[9-[2-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]fluoren-9-yl]phenoxy]-2-benzofuran-1,3-dione is O=C1OC(=O)c2cc(Oc3ccccc3C3(c4ccccc4Oc4ccc5c(c4)C(=O)OC5=O)c4ccccc4-c4ccccc43)ccc21.
What is the InChIKey of 5-[2-[9-[2-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]fluoren-9-yl]phenoxy]-2-benzofuran-1,3-dione?
The InChIKey is PYWUFEXWIIRRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H22O8/c42-37-27-19-17-23(21-29(27)39(44)48-37)46-35-15-7-5-13-33(35)41(31-11-3-1-9-25(31)26-10-2-4-12-32(26)41)34-14-6-8-16-36(34)47-24-18-20-28-30(22-24)40(45)49-38(28)43/h1-22H.
What are the key properties of 5-[2-[9-[2-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]fluoren-9-yl]phenoxy]-2-benzofuran-1,3-dione?
5-[2-[9-[2-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]fluoren-9-yl]phenoxy]-2-benzofuran-1,3-dione has a molecular weight of 642.62 g/mol, XLogP of 8.26, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[9-[2-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]fluoren-9-yl]phenoxy]-2-benzofuran-1,3-dione is sourced from PubChem (CID 155147619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).