5-(1,2,3-trioxoinden-5-yl)indene-1,2,3-trione

C18H6O6 — CID 58805602

IUPAC5-(1,2,3-trioxoinden-5-yl)indene-1,2,3-trione
SMILESO=c1c(=O)c2ccc(-c3ccc4c(=O)c(=O)c(=O)c4c3)cc2c1=O
InChIInChI=1S/C18H6O6/c19-13-9-3-1-7(5-11(9)15(21)17(13)23)8-2-4-10-12(6-8)16(22)18(24)14(10)20/h1-6H
InChIKeyBPZNXXZITCLCAB-UHFFFAOYSA-N
MW318.24 g/mol
LogP-0.43
Rot. Bonds1

About 5-(1,2,3-trioxoinden-5-yl)indene-1,2,3-trione

5-(1,2,3-trioxoinden-5-yl)indene-1,2,3-trione (PubChem CID 58805602) has the molecular formula C18H6O6 and a molecular weight of 318.24 g/mol. Its IUPAC name is 5-(1,2,3-trioxoinden-5-yl)indene-1,2,3-trione.

Molecular Properties

Compound Name5-(1,2,3-trioxoinden-5-yl)indene-1,2,3-trione
PubChem CID58805602
Molecular FormulaC18H6O6
Molecular Weight318.24 g/mol
Exact Mass318.02
IUPAC Name5-(1,2,3-trioxoinden-5-yl)indene-1,2,3-trione
SMILESO=c1c(=O)c2ccc(-c3ccc4c(=O)c(=O)c(=O)c4c3)cc2c1=O
InChIInChI=1S/C18H6O6/c19-13-9-3-1-7(5-11(9)15(21)17(13)23)8-2-4-10-12(6-8)16(22)18(24)14(10)20/h1-6H
InChIKeyBPZNXXZITCLCAB-UHFFFAOYSA-N
XLogP-0.43
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(4-methoxyphenyl)indene-1,2,3-trione
CID 58803268
tricyclo[6.2.0.03,6]deca-1(8),2,6-triene-4,5,9,10-tetrone
CID 102324557
5-(4-methoxyphenoxy)indene-1,2,3-trione
CID 58803270
2-(4-methylphenyl)-8-[4-(trifluoromethyl)phenyl]indeno[2,1-b]fluorene-10,12-dione
CID 58518204
2,7-di(dibenzothiophen-3-yl)thioxanthen-9-one;hydrate
CID 144622663
2-(9-oxo-7-phenylthioxanthen-2-yl)-7-phenylthioxanthen-9-one
CID 123879199
heptadecacyclo[59.3.1.12,6.113,17.118,22.129,33.134,38.145,49.150,54.05,10.09,14.021,26.025,30.037,42.041,46.053,58.057,62]doheptaconta-1(65),2(72),3,5,7,9,11,13,15,17(71),18(70),19,21,23,25,27,29,31,33(69),34(68),35,37,39,41,43,45,47,49(67),50(66),51,53,55,57,59,61,63-hexatriacontaene
CID 164669270
2,6,11-tris(3,5-dimethylphenyl)triphenylene
CID 58219987
2,7-dinaphthalen-2-ylxanthen-9-one
CID 89408633
2,10-bis(4-phenylphenyl)chromeno[2,3-a]xanthene-8,14-dione
CID 170440757
4-triphenylen-2-ylbenzaldehyde
CID 58078284
17,19-dimethyl-6-phenyl-2,12-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,15,17,19-nonaene-10,14,21-trione
CID 59944980

Frequently Asked Questions

What is the IUPAC name of 5-(1,2,3-trioxoinden-5-yl)indene-1,2,3-trione?
The IUPAC name of 5-(1,2,3-trioxoinden-5-yl)indene-1,2,3-trione (CID 58805602) is 5-(1,2,3-trioxoinden-5-yl)indene-1,2,3-trione.
What is the SMILES notation for 5-(1,2,3-trioxoinden-5-yl)indene-1,2,3-trione?
The canonical SMILES for 5-(1,2,3-trioxoinden-5-yl)indene-1,2,3-trione is O=c1c(=O)c2ccc(-c3ccc4c(=O)c(=O)c(=O)c4c3)cc2c1=O.
What is the InChIKey of 5-(1,2,3-trioxoinden-5-yl)indene-1,2,3-trione?
The InChIKey is BPZNXXZITCLCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H6O6/c19-13-9-3-1-7(5-11(9)15(21)17(13)23)8-2-4-10-12(6-8)16(22)18(24)14(10)20/h1-6H.
What are the key properties of 5-(1,2,3-trioxoinden-5-yl)indene-1,2,3-trione?
5-(1,2,3-trioxoinden-5-yl)indene-1,2,3-trione has a molecular weight of 318.24 g/mol, XLogP of -0.43, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,3-trioxoinden-5-yl)indene-1,2,3-trione is sourced from PubChem (CID 58805602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).