7,10-diphenylnaphtho[1,2-b][1]benzofuran-1,8,9-triol

C28H18O4 — CID 139589632

IUPAC7,10-diphenylnaphtho[1,2-b][1]benzofuran-1,8,9-triol
SMILESOc1c(O)c(-c2ccccc2)c2c(oc3c2ccc2cccc(O)c23)c1-c1ccccc1
InChIInChI=1S/C28H18O4/c29-20-13-7-12-18-14-15-19-24-22(16-8-3-1-4-9-16)25(30)26(31)23(17-10-5-2-6-11-17)28(24)32-27(19)21(18)20/h1-15,29-31H
InChIKeyFCFRWKYZBHGMJP-UHFFFAOYSA-N
MW418.45 g/mol
LogP7.19
Rot. Bonds2

About 7,10-diphenylnaphtho[1,2-b][1]benzofuran-1,8,9-triol

7,10-diphenylnaphtho[1,2-b][1]benzofuran-1,8,9-triol (PubChem CID 139589632) has the molecular formula C28H18O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is 7,10-diphenylnaphtho[1,2-b][1]benzofuran-1,8,9-triol.

Molecular Properties

Compound Name7,10-diphenylnaphtho[1,2-b][1]benzofuran-1,8,9-triol
PubChem CID139589632
Molecular FormulaC28H18O4
Molecular Weight418.45 g/mol
Exact Mass418.12
IUPAC Name7,10-diphenylnaphtho[1,2-b][1]benzofuran-1,8,9-triol
SMILESOc1c(O)c(-c2ccccc2)c2c(oc3c2ccc2cccc(O)c23)c1-c1ccccc1
InChIInChI=1S/C28H18O4/c29-20-13-7-12-18-14-15-19-24-22(16-8-3-1-4-9-16)25(30)26(31)23(17-10-5-2-6-11-17)28(24)32-27(19)21(18)20/h1-15,29-31H
InChIKeyFCFRWKYZBHGMJP-UHFFFAOYSA-N
XLogP7.19
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.45
LogP ≤ 57.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,10-diphenylnaphtho[1,2-b][1]benzofuran-1,8,9-triol?
The IUPAC name of 7,10-diphenylnaphtho[1,2-b][1]benzofuran-1,8,9-triol (CID 139589632) is 7,10-diphenylnaphtho[1,2-b][1]benzofuran-1,8,9-triol.
What is the SMILES notation for 7,10-diphenylnaphtho[1,2-b][1]benzofuran-1,8,9-triol?
The canonical SMILES for 7,10-diphenylnaphtho[1,2-b][1]benzofuran-1,8,9-triol is Oc1c(O)c(-c2ccccc2)c2c(oc3c2ccc2cccc(O)c23)c1-c1ccccc1.
What is the InChIKey of 7,10-diphenylnaphtho[1,2-b][1]benzofuran-1,8,9-triol?
The InChIKey is FCFRWKYZBHGMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18O4/c29-20-13-7-12-18-14-15-19-24-22(16-8-3-1-4-9-16)25(30)26(31)23(17-10-5-2-6-11-17)28(24)32-27(19)21(18)20/h1-15,29-31H.
What are the key properties of 7,10-diphenylnaphtho[1,2-b][1]benzofuran-1,8,9-triol?
7,10-diphenylnaphtho[1,2-b][1]benzofuran-1,8,9-triol has a molecular weight of 418.45 g/mol, XLogP of 7.19, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-diphenylnaphtho[1,2-b][1]benzofuran-1,8,9-triol is sourced from PubChem (CID 139589632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).