2-[6-(9-oxoxanthen-3-yl)dibenzofuran-4-yl]xanthen-9-one

C38H20O5 — CID 69098478

IUPAC2-[6-(9-oxoxanthen-3-yl)dibenzofuran-4-yl]xanthen-9-one
SMILESO=c1c2ccccc2oc2cc(-c3cccc4c3oc3c(-c5ccc6oc7ccccc7c(=O)c6c5)cccc34)ccc12
InChIInChI=1S/C38H20O5/c39-35-27-7-1-4-14-32(27)42-34-20-22(15-17-29(34)35)24-10-6-12-26-25-11-5-9-23(37(25)43-38(24)26)21-16-18-33-30(19-21)36(40)28-8-2-3-13-31(28)41-33/h1-20H
InChIKeyOOGROSJOABGXPW-UHFFFAOYSA-N
MW556.57 g/mol
LogP9.44
Rot. Bonds2

About 2-[6-(9-oxoxanthen-3-yl)dibenzofuran-4-yl]xanthen-9-one

2-[6-(9-oxoxanthen-3-yl)dibenzofuran-4-yl]xanthen-9-one (PubChem CID 69098478) has the molecular formula C38H20O5 and a molecular weight of 556.57 g/mol. Its IUPAC name is 2-[6-(9-oxoxanthen-3-yl)dibenzofuran-4-yl]xanthen-9-one.

Molecular Properties

Compound Name2-[6-(9-oxoxanthen-3-yl)dibenzofuran-4-yl]xanthen-9-one
PubChem CID69098478
Molecular FormulaC38H20O5
Molecular Weight556.57 g/mol
Exact Mass556.13
IUPAC Name2-[6-(9-oxoxanthen-3-yl)dibenzofuran-4-yl]xanthen-9-one
SMILESO=c1c2ccccc2oc2cc(-c3cccc4c3oc3c(-c5ccc6oc7ccccc7c(=O)c6c5)cccc34)ccc12
InChIInChI=1S/C38H20O5/c39-35-27-7-1-4-14-32(27)42-34-20-22(15-17-29(34)35)24-10-6-12-26-25-11-5-9-23(37(25)43-38(24)26)21-16-18-33-30(19-21)36(40)28-8-2-3-13-31(28)41-33/h1-20H
InChIKeyOOGROSJOABGXPW-UHFFFAOYSA-N
XLogP9.44
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.57
LogP ≤ 59.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 135208580
7,19-di(dibenzofuran-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
CID 149458315
2,11-di(dibenzothiophen-4-yl)chromeno[2,3-a]xanthene-8,14-dione
CID 170440820
5-(3,7-ditert-butylnaphthalen-1-yl)-3-(9-oxoxanthen-2-yl)xanthen-9-one
CID 69098410
2-dibenzofuran-3-yl-4-[3-(8-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850264
4-(9-oxoxanthen-4-yl)xanthen-9-one
CID 58280681
7-dibenzofuran-4-yl-1-fluoranthen-3-yldibenzofuran
CID 129100580
3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]xanthen-9-one
CID 155281538
3-(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 58991746
9-(6-dibenzofuran-3-yldibenzofuran-2-yl)carbazole
CID 146558798
3-(3-dibenzofuran-4-ylphenyl)thioxanthen-9-one
CID 69281102
1-(4-triphenylen-2-ylphenyl)dibenzofuran;2-(4-triphenylen-2-ylphenyl)dibenzofuran;3-(3-triphenylen-2-ylphenyl)dibenzofuran;3-(4-triphenylen-2-ylphenyl)dibenzofuran;4-(4-triphenylen-2-ylphenyl)dibenzofuran
CID 160897706

Frequently Asked Questions

What is the IUPAC name of 2-[6-(9-oxoxanthen-3-yl)dibenzofuran-4-yl]xanthen-9-one?
The IUPAC name of 2-[6-(9-oxoxanthen-3-yl)dibenzofuran-4-yl]xanthen-9-one (CID 69098478) is 2-[6-(9-oxoxanthen-3-yl)dibenzofuran-4-yl]xanthen-9-one.
What is the SMILES notation for 2-[6-(9-oxoxanthen-3-yl)dibenzofuran-4-yl]xanthen-9-one?
The canonical SMILES for 2-[6-(9-oxoxanthen-3-yl)dibenzofuran-4-yl]xanthen-9-one is O=c1c2ccccc2oc2cc(-c3cccc4c3oc3c(-c5ccc6oc7ccccc7c(=O)c6c5)cccc34)ccc12.
What is the InChIKey of 2-[6-(9-oxoxanthen-3-yl)dibenzofuran-4-yl]xanthen-9-one?
The InChIKey is OOGROSJOABGXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H20O5/c39-35-27-7-1-4-14-32(27)42-34-20-22(15-17-29(34)35)24-10-6-12-26-25-11-5-9-23(37(25)43-38(24)26)21-16-18-33-30(19-21)36(40)28-8-2-3-13-31(28)41-33/h1-20H.
What are the key properties of 2-[6-(9-oxoxanthen-3-yl)dibenzofuran-4-yl]xanthen-9-one?
2-[6-(9-oxoxanthen-3-yl)dibenzofuran-4-yl]xanthen-9-one has a molecular weight of 556.57 g/mol, XLogP of 9.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(9-oxoxanthen-3-yl)dibenzofuran-4-yl]xanthen-9-one is sourced from PubChem (CID 69098478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).