4-(9-oxoxanthen-4-yl)xanthen-9-one

C26H14O4 — CID 58280681

IUPAC4-(9-oxoxanthen-4-yl)xanthen-9-one
SMILESO=c1c2ccccc2oc2c(-c3cccc4c(=O)c5ccccc5oc34)cccc12
InChIInChI=1S/C26H14O4/c27-23-17-7-1-3-13-21(17)29-25-15(9-5-11-19(23)25)16-10-6-12-20-24(28)18-8-2-4-14-22(18)30-26(16)20/h1-14H
InChIKeyJBAWVHJQCASBHA-UHFFFAOYSA-N
MW390.39 g/mol
LogP5.87
Rot. Bonds1

About 4-(9-oxoxanthen-4-yl)xanthen-9-one

4-(9-oxoxanthen-4-yl)xanthen-9-one (PubChem CID 58280681) has the molecular formula C26H14O4 and a molecular weight of 390.39 g/mol. Its IUPAC name is 4-(9-oxoxanthen-4-yl)xanthen-9-one.

Molecular Properties

Compound Name4-(9-oxoxanthen-4-yl)xanthen-9-one
PubChem CID58280681
Molecular FormulaC26H14O4
Molecular Weight390.39 g/mol
Exact Mass390.09
IUPAC Name4-(9-oxoxanthen-4-yl)xanthen-9-one
SMILESO=c1c2ccccc2oc2c(-c3cccc4c(=O)c5ccccc5oc34)cccc12
InChIInChI=1S/C26H14O4/c27-23-17-7-1-3-13-21(17)29-25-15(9-5-11-19(23)25)16-10-6-12-20-24(28)18-8-2-4-14-22(18)30-26(16)20/h1-14H
InChIKeyJBAWVHJQCASBHA-UHFFFAOYSA-N
XLogP5.87
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.39
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-pyridin-2-ylxanthen-9-one
CID 167260109
4-ethylxanthen-9-one
CID 15075530
2-[6-(9-oxoxanthen-3-yl)dibenzofuran-4-yl]xanthen-9-one
CID 69098478
4-prop-2-enylxanthen-9-one
CID 19102968
4-(dimethoxymethyl)xanthen-9-one
CID 154941110
propane;xanthen-9-one
CID 90876458
4-chloro-3-hydroxyxanthen-9-one
CID 15617000
4-bromo-6-dibenzofuran-4-yldibenzofuran
CID 147905511
6-fluoro-[1]benzofuro[3,2-b]chromen-11-one
CID 132822183
4-(3-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2,4,6,8(25),9,11,13,15,17,19,21,23,26,28,30,33,35,37,39,41,43,45,47-tetracosaenyl)dibenzofuran
CID 134429033
2,4-diiodoxanthen-9-one
CID 172504971
5-(3,7-ditert-butylnaphthalen-1-yl)-3-(9-oxoxanthen-2-yl)xanthen-9-one
CID 69098410

Frequently Asked Questions

What is the IUPAC name of 4-(9-oxoxanthen-4-yl)xanthen-9-one?
The IUPAC name of 4-(9-oxoxanthen-4-yl)xanthen-9-one (CID 58280681) is 4-(9-oxoxanthen-4-yl)xanthen-9-one.
What is the SMILES notation for 4-(9-oxoxanthen-4-yl)xanthen-9-one?
The canonical SMILES for 4-(9-oxoxanthen-4-yl)xanthen-9-one is O=c1c2ccccc2oc2c(-c3cccc4c(=O)c5ccccc5oc34)cccc12.
What is the InChIKey of 4-(9-oxoxanthen-4-yl)xanthen-9-one?
The InChIKey is JBAWVHJQCASBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14O4/c27-23-17-7-1-3-13-21(17)29-25-15(9-5-11-19(23)25)16-10-6-12-20-24(28)18-8-2-4-14-22(18)30-26(16)20/h1-14H.
What are the key properties of 4-(9-oxoxanthen-4-yl)xanthen-9-one?
4-(9-oxoxanthen-4-yl)xanthen-9-one has a molecular weight of 390.39 g/mol, XLogP of 5.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-oxoxanthen-4-yl)xanthen-9-one is sourced from PubChem (CID 58280681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).