4,8-bis[4-(3-aminophenoxy)phenyl]furo[3,4-f][2]benzofuran-1,3,5,7-tetrone

C34H20N2O8 — CID 57061746

IUPAC4,8-bis[4-(3-aminophenoxy)phenyl]furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
SMILESNc1cccc(Oc2ccc(-c3c4c(=O)oc(=O)c4c(-c4ccc(Oc5cccc(N)c5)cc4)c4c(=O)oc(=O)c34)cc2)c1
InChIInChI=1S/C34H20N2O8/c35-19-3-1-5-23(15-19)41-21-11-7-17(8-12-21)25-27-29(33(39)43-31(27)37)26(30-28(25)32(38)44-34(30)40)18-9-13-22(14-10-18)42-24-6-2-4-20(36)16-24/h1-16H,35-36H2
InChIKeyVRJKFMZRJTYSFI-UHFFFAOYSA-N
MW584.54 g/mol
LogP5.58
Rot. Bonds6

About 4,8-bis[4-(3-aminophenoxy)phenyl]furo[3,4-f][2]benzofuran-1,3,5,7-tetrone

4,8-bis[4-(3-aminophenoxy)phenyl]furo[3,4-f][2]benzofuran-1,3,5,7-tetrone (PubChem CID 57061746) has the molecular formula C34H20N2O8 and a molecular weight of 584.54 g/mol. Its IUPAC name is 4,8-bis[4-(3-aminophenoxy)phenyl]furo[3,4-f][2]benzofuran-1,3,5,7-tetrone.

Molecular Properties

Compound Name4,8-bis[4-(3-aminophenoxy)phenyl]furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
PubChem CID57061746
Molecular FormulaC34H20N2O8
Molecular Weight584.54 g/mol
Exact Mass584.12
IUPAC Name4,8-bis[4-(3-aminophenoxy)phenyl]furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
SMILESNc1cccc(Oc2ccc(-c3c4c(=O)oc(=O)c4c(-c4ccc(Oc5cccc(N)c5)cc4)c4c(=O)oc(=O)c34)cc2)c1
InChIInChI=1S/C34H20N2O8/c35-19-3-1-5-23(15-19)41-21-11-7-17(8-12-21)25-27-29(33(39)43-31(27)37)26(30-28(25)32(38)44-34(30)40)18-9-13-22(14-10-18)42-24-6-2-4-20(36)16-24/h1-16H,35-36H2
InChIKeyVRJKFMZRJTYSFI-UHFFFAOYSA-N
XLogP5.58
TPSA165.06 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.54
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,8-bis[4-(3-aminophenoxy)phenyl]furo[3,4-f][2]benzofuran-1,3,5,7-tetrone?
The IUPAC name of 4,8-bis[4-(3-aminophenoxy)phenyl]furo[3,4-f][2]benzofuran-1,3,5,7-tetrone (CID 57061746) is 4,8-bis[4-(3-aminophenoxy)phenyl]furo[3,4-f][2]benzofuran-1,3,5,7-tetrone.
What is the SMILES notation for 4,8-bis[4-(3-aminophenoxy)phenyl]furo[3,4-f][2]benzofuran-1,3,5,7-tetrone?
The canonical SMILES for 4,8-bis[4-(3-aminophenoxy)phenyl]furo[3,4-f][2]benzofuran-1,3,5,7-tetrone is Nc1cccc(Oc2ccc(-c3c4c(=O)oc(=O)c4c(-c4ccc(Oc5cccc(N)c5)cc4)c4c(=O)oc(=O)c34)cc2)c1.
What is the InChIKey of 4,8-bis[4-(3-aminophenoxy)phenyl]furo[3,4-f][2]benzofuran-1,3,5,7-tetrone?
The InChIKey is VRJKFMZRJTYSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N2O8/c35-19-3-1-5-23(15-19)41-21-11-7-17(8-12-21)25-27-29(33(39)43-31(27)37)26(30-28(25)32(38)44-34(30)40)18-9-13-22(14-10-18)42-24-6-2-4-20(36)16-24/h1-16H,35-36H2.
What are the key properties of 4,8-bis[4-(3-aminophenoxy)phenyl]furo[3,4-f][2]benzofuran-1,3,5,7-tetrone?
4,8-bis[4-(3-aminophenoxy)phenyl]furo[3,4-f][2]benzofuran-1,3,5,7-tetrone has a molecular weight of 584.54 g/mol, XLogP of 5.58, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-bis[4-(3-aminophenoxy)phenyl]furo[3,4-f][2]benzofuran-1,3,5,7-tetrone is sourced from PubChem (CID 57061746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).