8-anthracen-9-yldibenzofuran-1,2,3,4,6,7,9-heptol

C26H16O8 — CID 142377573

IUPAC8-anthracen-9-yldibenzofuran-1,2,3,4,6,7,9-heptol
SMILESOc1c(O)c(O)c2c(oc3c(O)c(O)c(-c4c5ccccc5cc5ccccc45)c(O)c32)c1O
InChIInChI=1S/C26H16O8/c27-18-15(14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14)19(28)23(32)25-16(18)17-20(29)21(30)22(31)24(33)26(17)34-25/h1-9,27-33H
InChIKeyFNMITDBDOJPWEW-UHFFFAOYSA-N
MW456.41 g/mol
LogP5.50
Rot. Bonds1

About 8-anthracen-9-yldibenzofuran-1,2,3,4,6,7,9-heptol

8-anthracen-9-yldibenzofuran-1,2,3,4,6,7,9-heptol (PubChem CID 142377573) has the molecular formula C26H16O8 and a molecular weight of 456.41 g/mol. Its IUPAC name is 8-anthracen-9-yldibenzofuran-1,2,3,4,6,7,9-heptol.

Molecular Properties

Compound Name8-anthracen-9-yldibenzofuran-1,2,3,4,6,7,9-heptol
PubChem CID142377573
Molecular FormulaC26H16O8
Molecular Weight456.41 g/mol
Exact Mass456.08
IUPAC Name8-anthracen-9-yldibenzofuran-1,2,3,4,6,7,9-heptol
SMILESOc1c(O)c(O)c2c(oc3c(O)c(O)c(-c4c5ccccc5cc5ccccc45)c(O)c32)c1O
InChIInChI=1S/C26H16O8/c27-18-15(14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14)19(28)23(32)25-16(18)17-20(29)21(30)22(31)24(33)26(17)34-25/h1-9,27-33H
InChIKeyFNMITDBDOJPWEW-UHFFFAOYSA-N
XLogP5.50
TPSA154.75 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500456.41
LogP ≤ 55.50
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 8-anthracen-9-yldibenzofuran-1,2,3,4,6,7,9-heptol with MolForge

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

Launch Full Analysis

Related Compounds

6-anthracen-9-yldibenzofuran-1,2,3,4,7,8,9-heptol;ethane
CID 142377570
8-(2,3,6,7-tetrahydroxy-10-naphthalen-1-ylanthracen-9-yl)dibenzofuran-1,2,3,4,6,7,9-heptol
CID 163832230
1-anthracen-9-yldibenzofuran-2,3,4-triol
CID 142377523
8-(2,3,4,5,6-pentahydroxyphenyl)-3-[10-(2,3,5,6-tetrahydroxy-4-phenylphenyl)anthracen-9-yl]dibenzofuran-1,2,4,6,7,9-hexol
CID 163429697
7-[10-(2,3,6-trihydroxy-4,5-diphenylphenyl)anthracen-9-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol
CID 161266318
7-[3-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol
CID 163577288
6-(2,3,6,7-tetrahydroxy-10-phenylanthracen-9-yl)dibenzofuran-1,2,3,4,7,8,9-heptol
CID 163698610
8-[1,2,3,4,5,6,8-heptahydroxy-10-(2,3,4,5,6-pentahydroxyphenyl)-7-[2,3,4,5-tetrahydroxy-6-(2,3,4,5,6-pentahydroxyphenyl)phenyl]anthracen-9-yl]dibenzofuran-1,2,3,4,6,7,9-heptol
CID 163595240
1-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphtho[6,7-b][1]benzofuran-2,3,4,6,7,8,9,10,11-nonol
CID 163882147
2-[1,2,3,4,5,6,7,8-octahydroxy-10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran-1,3,4,6,8,9,10,11-octol
CID 166019914
7-[7-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol
CID 163511513
CID 174140034
CID 174140034

Frequently Asked Questions

What is the IUPAC name of 8-anthracen-9-yldibenzofuran-1,2,3,4,6,7,9-heptol?
The IUPAC name of 8-anthracen-9-yldibenzofuran-1,2,3,4,6,7,9-heptol (CID 142377573) is 8-anthracen-9-yldibenzofuran-1,2,3,4,6,7,9-heptol.
What is the SMILES notation for 8-anthracen-9-yldibenzofuran-1,2,3,4,6,7,9-heptol?
The canonical SMILES for 8-anthracen-9-yldibenzofuran-1,2,3,4,6,7,9-heptol is Oc1c(O)c(O)c2c(oc3c(O)c(O)c(-c4c5ccccc5cc5ccccc45)c(O)c32)c1O.
What is the InChIKey of 8-anthracen-9-yldibenzofuran-1,2,3,4,6,7,9-heptol?
The InChIKey is FNMITDBDOJPWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16O8/c27-18-15(14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14)19(28)23(32)25-16(18)17-20(29)21(30)22(31)24(33)26(17)34-25/h1-9,27-33H.
What are the key properties of 8-anthracen-9-yldibenzofuran-1,2,3,4,6,7,9-heptol?
8-anthracen-9-yldibenzofuran-1,2,3,4,6,7,9-heptol has a molecular weight of 456.41 g/mol, XLogP of 5.50, 1 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-anthracen-9-yldibenzofuran-1,2,3,4,6,7,9-heptol is sourced from PubChem (CID 142377573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).