5-[10-(3,5-dihydroxyphenyl)anthracen-9-yl]benzene-1,3-diol

C26H18O4 — CID 11047500

IUPAC5-[10-(3,5-dihydroxyphenyl)anthracen-9-yl]benzene-1,3-diol
SMILESOc1cc(O)cc(-c2c3ccccc3c(-c3cc(O)cc(O)c3)c3ccccc23)c1
InChIInChI=1S/C26H18O4/c27-17-9-15(10-18(28)13-17)25-21-5-1-2-6-22(21)26(24-8-4-3-7-23(24)25)16-11-19(29)14-20(30)12-16/h1-14,27-30H
InChIKeyBTBBWVMITMIXSY-UHFFFAOYSA-N
MW394.43 g/mol
LogP6.15
Rot. Bonds2

About 5-[10-(3,5-dihydroxyphenyl)anthracen-9-yl]benzene-1,3-diol

5-[10-(3,5-dihydroxyphenyl)anthracen-9-yl]benzene-1,3-diol (PubChem CID 11047500) has the molecular formula C26H18O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 5-[10-(3,5-dihydroxyphenyl)anthracen-9-yl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[10-(3,5-dihydroxyphenyl)anthracen-9-yl]benzene-1,3-diol
PubChem CID11047500
Molecular FormulaC26H18O4
Molecular Weight394.43 g/mol
Exact Mass394.12
IUPAC Name5-[10-(3,5-dihydroxyphenyl)anthracen-9-yl]benzene-1,3-diol
SMILESOc1cc(O)cc(-c2c3ccccc3c(-c3cc(O)cc(O)c3)c3ccccc23)c1
InChIInChI=1S/C26H18O4/c27-17-9-15(10-18(28)13-17)25-21-5-1-2-6-22(21)26(24-8-4-3-7-23(24)25)16-11-19(29)14-20(30)12-16/h1-14,27-30H
InChIKeyBTBBWVMITMIXSY-UHFFFAOYSA-N
XLogP6.15
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.43
LogP ≤ 56.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 5-[10-(3,5-dihydroxyphenyl)anthracen-9-yl]benzene-1,3-diol 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

5-[10-(3,5-dihydroxyphenyl)anthracen-9-yl]benzene-1,3-diol;ethanol
CID 71422766
5-[13-(3,5-dihydroxyphenyl)pentacen-6-yl]benzene-1,3-diol
CID 102071732
6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-ol
CID 58876156
3-anthracen-9-ylphenol
CID 91210590
7,14-diphenylpentacene-5,12-diol
CID 91191463
9-(3-phenylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 23579750
2-ethyl-4-[10-(3-ethyl-4-hydroxyphenyl)anthracen-9-yl]phenol
CID 151136569
9-[3,5-bis(4-methylphenyl)phenyl]-10-[10-[3,5-bis(4-methylphenyl)phenyl]anthracen-9-yl]anthracene
CID 123828708
9-[3-methyl-5-[10-(4-methylphenyl)anthracen-9-yl]phenyl]-10-(4-methylphenyl)anthracene
CID 58722434
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
9-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 59398961
9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557543

Frequently Asked Questions

What is the IUPAC name of 5-[10-(3,5-dihydroxyphenyl)anthracen-9-yl]benzene-1,3-diol?
The IUPAC name of 5-[10-(3,5-dihydroxyphenyl)anthracen-9-yl]benzene-1,3-diol (CID 11047500) is 5-[10-(3,5-dihydroxyphenyl)anthracen-9-yl]benzene-1,3-diol.
What is the SMILES notation for 5-[10-(3,5-dihydroxyphenyl)anthracen-9-yl]benzene-1,3-diol?
The canonical SMILES for 5-[10-(3,5-dihydroxyphenyl)anthracen-9-yl]benzene-1,3-diol is Oc1cc(O)cc(-c2c3ccccc3c(-c3cc(O)cc(O)c3)c3ccccc23)c1.
What is the InChIKey of 5-[10-(3,5-dihydroxyphenyl)anthracen-9-yl]benzene-1,3-diol?
The InChIKey is BTBBWVMITMIXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18O4/c27-17-9-15(10-18(28)13-17)25-21-5-1-2-6-22(21)26(24-8-4-3-7-23(24)25)16-11-19(29)14-20(30)12-16/h1-14,27-30H.
What are the key properties of 5-[10-(3,5-dihydroxyphenyl)anthracen-9-yl]benzene-1,3-diol?
5-[10-(3,5-dihydroxyphenyl)anthracen-9-yl]benzene-1,3-diol has a molecular weight of 394.43 g/mol, XLogP of 6.15, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[10-(3,5-dihydroxyphenyl)anthracen-9-yl]benzene-1,3-diol is sourced from PubChem (CID 11047500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).