1-(1H-indol-2-yl)xanthen-9-one

C21H13NO2 — CID 134824217

IUPAC1-(1H-indol-2-yl)xanthen-9-one
SMILESO=c1c2ccccc2oc2cccc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C21H13NO2/c23-21-15-7-2-4-10-18(15)24-19-11-5-8-14(20(19)21)17-12-13-6-1-3-9-16(13)22-17/h1-12,22H
InChIKeyRIHRUEFPNQGYGF-UHFFFAOYSA-N
MW311.34 g/mol
LogP5.09
Rot. Bonds1

About 1-(1H-indol-2-yl)xanthen-9-one

1-(1H-indol-2-yl)xanthen-9-one (PubChem CID 134824217) has the molecular formula C21H13NO2 and a molecular weight of 311.34 g/mol. Its IUPAC name is 1-(1H-indol-2-yl)xanthen-9-one.

Molecular Properties

Compound Name1-(1H-indol-2-yl)xanthen-9-one
PubChem CID134824217
Molecular FormulaC21H13NO2
Molecular Weight311.34 g/mol
Exact Mass311.09
IUPAC Name1-(1H-indol-2-yl)xanthen-9-one
SMILESO=c1c2ccccc2oc2cccc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C21H13NO2/c23-21-15-7-2-4-10-18(15)24-19-11-5-8-14(20(19)21)17-12-13-6-1-3-9-16(13)22-17/h1-12,22H
InChIKeyRIHRUEFPNQGYGF-UHFFFAOYSA-N
XLogP5.09
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.34
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1H-indol-2-yl)-4-methoxychromen-2-one
CID 177487143
1-(4-chlorophenyl)xanthen-9-one
CID 168812432
1-(2H-tetrazol-5-yl)xanthen-9-one
CID 154341759
2-(2-iodophenyl)-1H-indole
CID 12996175
1-aminooxyxanthen-9-one
CID 163930862
1-aminobenzo[a]xanthen-12-one
CID 163931413
2-(1H-indol-2-yl)phenol;sulfuric acid
CID 155109187
2-[2-(1H-indol-2-yl)-3-methylphenyl]-1H-indole
CID 68641137
1-(2-benzoylphenyl)xanthen-9-one
CID 67637668
4-(9-oxoxanthen-4-yl)xanthen-9-one
CID 58280681
2-(2,6-diphenylphenyl)-1H-indole
CID 135023242
CID 87602032
CID 87602032

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-2-yl)xanthen-9-one?
The IUPAC name of 1-(1H-indol-2-yl)xanthen-9-one (CID 134824217) is 1-(1H-indol-2-yl)xanthen-9-one.
What is the SMILES notation for 1-(1H-indol-2-yl)xanthen-9-one?
The canonical SMILES for 1-(1H-indol-2-yl)xanthen-9-one is O=c1c2ccccc2oc2cccc(-c3cc4ccccc4[nH]3)c12.
What is the InChIKey of 1-(1H-indol-2-yl)xanthen-9-one?
The InChIKey is RIHRUEFPNQGYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13NO2/c23-21-15-7-2-4-10-18(15)24-19-11-5-8-14(20(19)21)17-12-13-6-1-3-9-16(13)22-17/h1-12,22H.
What are the key properties of 1-(1H-indol-2-yl)xanthen-9-one?
1-(1H-indol-2-yl)xanthen-9-one has a molecular weight of 311.34 g/mol, XLogP of 5.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-2-yl)xanthen-9-one is sourced from PubChem (CID 134824217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).