9-(4,5-dihydroxyxanthen-9-ylidene)xanthene-4,5-diol

C26H16O6 — CID 132552558

IUPAC9-(4,5-dihydroxyxanthen-9-ylidene)xanthene-4,5-diol
SMILESOc1cccc2c1Oc1c(O)cccc1C2=C1c2cccc(O)c2Oc2c(O)cccc21
InChIInChI=1S/C26H16O6/c27-17-9-1-5-13-21(14-6-2-10-18(28)24(14)31-23(13)17)22-15-7-3-11-19(29)25(15)32-26-16(22)8-4-12-20(26)30/h1-12,27-30H
InChIKeyNGXQKZPOPJSZGU-UHFFFAOYSA-N
MW424.41 g/mol
LogP5.73
Rot. Bonds

About 9-(4,5-dihydroxyxanthen-9-ylidene)xanthene-4,5-diol

9-(4,5-dihydroxyxanthen-9-ylidene)xanthene-4,5-diol (PubChem CID 132552558) has the molecular formula C26H16O6 and a molecular weight of 424.41 g/mol. Its IUPAC name is 9-(4,5-dihydroxyxanthen-9-ylidene)xanthene-4,5-diol.

Molecular Properties

Compound Name9-(4,5-dihydroxyxanthen-9-ylidene)xanthene-4,5-diol
PubChem CID132552558
Molecular FormulaC26H16O6
Molecular Weight424.41 g/mol
Exact Mass424.09
IUPAC Name9-(4,5-dihydroxyxanthen-9-ylidene)xanthene-4,5-diol
SMILESOc1cccc2c1Oc1c(O)cccc1C2=C1c2cccc(O)c2Oc2c(O)cccc21
InChIInChI=1S/C26H16O6/c27-17-9-1-5-13-21(14-6-2-10-18(28)24(14)31-23(13)17)22-15-7-3-11-19(29)25(15)32-26-16(22)8-4-12-20(26)30/h1-12,27-30H
InChIKeyNGXQKZPOPJSZGU-UHFFFAOYSA-N
XLogP5.73
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.41
LogP ≤ 55.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Procyanidin B1
CID 11250133
Procyanidin B2
CID 122738
Procyanidin B3
CID 146798
Procyanidin
CID 107876
Procyanidin B
CID 130556
Riccardin D
CID 11510446
Procyanidin B4
CID 147299
5-Pentyl-2-phenoxyphenol
CID 5274976
5-Hexyl-2-phenoxyphenol
CID 5274977
5-Octyl-2-phenoxyphenol
CID 5274979
5-Hexyl-2-(2-Methylphenoxy)phenol
CID 16727110
Riccardin C
CID 10070992

Frequently Asked Questions

What is the IUPAC name of 9-(4,5-dihydroxyxanthen-9-ylidene)xanthene-4,5-diol?
The IUPAC name of 9-(4,5-dihydroxyxanthen-9-ylidene)xanthene-4,5-diol (CID 132552558) is 9-(4,5-dihydroxyxanthen-9-ylidene)xanthene-4,5-diol.
What is the SMILES notation for 9-(4,5-dihydroxyxanthen-9-ylidene)xanthene-4,5-diol?
The canonical SMILES for 9-(4,5-dihydroxyxanthen-9-ylidene)xanthene-4,5-diol is Oc1cccc2c1Oc1c(O)cccc1C2=C1c2cccc(O)c2Oc2c(O)cccc21.
What is the InChIKey of 9-(4,5-dihydroxyxanthen-9-ylidene)xanthene-4,5-diol?
The InChIKey is NGXQKZPOPJSZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16O6/c27-17-9-1-5-13-21(14-6-2-10-18(28)24(14)31-23(13)17)22-15-7-3-11-19(29)25(15)32-26-16(22)8-4-12-20(26)30/h1-12,27-30H.
What are the key properties of 9-(4,5-dihydroxyxanthen-9-ylidene)xanthene-4,5-diol?
9-(4,5-dihydroxyxanthen-9-ylidene)xanthene-4,5-diol has a molecular weight of 424.41 g/mol, XLogP of 5.73, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,5-dihydroxyxanthen-9-ylidene)xanthene-4,5-diol is sourced from PubChem (CID 132552558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).