4-(4-phenylphenyl)furo[3,4-e][2]benzofuran-1,3,6,8-tetrone

C22H10O6 — CID 56627383

IUPAC4-(4-phenylphenyl)furo[3,4-e][2]benzofuran-1,3,6,8-tetrone
SMILESO=c1oc(=O)c2c1cc(-c1ccc(-c3ccccc3)cc1)c1c(=O)oc(=O)c12
InChIInChI=1S/C22H10O6/c23-19-15-10-14(13-8-6-12(7-9-13)11-4-2-1-3-5-11)16-18(17(15)21(25)27-19)22(26)28-20(16)24/h1-10H
InChIKeyLNXLAQIIAGIWSQ-UHFFFAOYSA-N
MW370.32 g/mol
LogP2.83
Rot. Bonds2

About 4-(4-phenylphenyl)furo[3,4-e][2]benzofuran-1,3,6,8-tetrone

4-(4-phenylphenyl)furo[3,4-e][2]benzofuran-1,3,6,8-tetrone (PubChem CID 56627383) has the molecular formula C22H10O6 and a molecular weight of 370.32 g/mol. Its IUPAC name is 4-(4-phenylphenyl)furo[3,4-e][2]benzofuran-1,3,6,8-tetrone.

Molecular Properties

Compound Name4-(4-phenylphenyl)furo[3,4-e][2]benzofuran-1,3,6,8-tetrone
PubChem CID56627383
Molecular FormulaC22H10O6
Molecular Weight370.32 g/mol
Exact Mass370.05
IUPAC Name4-(4-phenylphenyl)furo[3,4-e][2]benzofuran-1,3,6,8-tetrone
SMILESO=c1oc(=O)c2c1cc(-c1ccc(-c3ccccc3)cc1)c1c(=O)oc(=O)c12
InChIInChI=1S/C22H10O6/c23-19-15-10-14(13-8-6-12(7-9-13)11-4-2-1-3-5-11)16-18(17(15)21(25)27-19)22(26)28-20(16)24/h1-10H
InChIKeyLNXLAQIIAGIWSQ-UHFFFAOYSA-N
XLogP2.83
TPSA94.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylphenyl)furo[3,4-e][2]benzofuran-1,3,6,8-tetrone?
The IUPAC name of 4-(4-phenylphenyl)furo[3,4-e][2]benzofuran-1,3,6,8-tetrone (CID 56627383) is 4-(4-phenylphenyl)furo[3,4-e][2]benzofuran-1,3,6,8-tetrone.
What is the SMILES notation for 4-(4-phenylphenyl)furo[3,4-e][2]benzofuran-1,3,6,8-tetrone?
The canonical SMILES for 4-(4-phenylphenyl)furo[3,4-e][2]benzofuran-1,3,6,8-tetrone is O=c1oc(=O)c2c1cc(-c1ccc(-c3ccccc3)cc1)c1c(=O)oc(=O)c12.
What is the InChIKey of 4-(4-phenylphenyl)furo[3,4-e][2]benzofuran-1,3,6,8-tetrone?
The InChIKey is LNXLAQIIAGIWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H10O6/c23-19-15-10-14(13-8-6-12(7-9-13)11-4-2-1-3-5-11)16-18(17(15)21(25)27-19)22(26)28-20(16)24/h1-10H.
What are the key properties of 4-(4-phenylphenyl)furo[3,4-e][2]benzofuran-1,3,6,8-tetrone?
4-(4-phenylphenyl)furo[3,4-e][2]benzofuran-1,3,6,8-tetrone has a molecular weight of 370.32 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylphenyl)furo[3,4-e][2]benzofuran-1,3,6,8-tetrone is sourced from PubChem (CID 56627383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).