spiro[1,3-dihydrocyclopenta[a]anthracene-2,2'-indene]-1',3',6,11-tetrone

C25H14O4 — CID 102500026

IUPACspiro[1,3-dihydrocyclopenta[a]anthracene-2,2'-indene]-1',3',6,11-tetrone
SMILESO=C1c2ccccc2C(=O)c2c1ccc1c2CC2(C1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C25H14O4/c26-21-14-5-1-2-6-15(14)22(27)20-18(21)10-9-13-11-25(12-19(13)20)23(28)16-7-3-4-8-17(16)24(25)29/h1-10H,11-12H2
InChIKeyGYUVITPIFMPXTI-UHFFFAOYSA-N
MW378.38 g/mol
LogP3.63
Rot. Bonds

About spiro[1,3-dihydrocyclopenta[a]anthracene-2,2'-indene]-1',3',6,11-tetrone

spiro[1,3-dihydrocyclopenta[a]anthracene-2,2'-indene]-1',3',6,11-tetrone (PubChem CID 102500026) has the molecular formula C25H14O4 and a molecular weight of 378.38 g/mol. Its IUPAC name is spiro[1,3-dihydrocyclopenta[a]anthracene-2,2'-indene]-1',3',6,11-tetrone.

Molecular Properties

Compound Namespiro[1,3-dihydrocyclopenta[a]anthracene-2,2'-indene]-1',3',6,11-tetrone
PubChem CID102500026
Molecular FormulaC25H14O4
Molecular Weight378.38 g/mol
Exact Mass378.09
IUPAC Namespiro[1,3-dihydrocyclopenta[a]anthracene-2,2'-indene]-1',3',6,11-tetrone
SMILESO=C1c2ccccc2C(=O)c2c1ccc1c2CC2(C1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C25H14O4/c26-21-14-5-1-2-6-15(14)22(27)20-18(21)10-9-13-11-25(12-19(13)20)23(28)16-7-3-4-8-17(16)24(25)29/h1-10H,11-12H2
InChIKeyGYUVITPIFMPXTI-UHFFFAOYSA-N
XLogP3.63
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1,2-dihydrocyclobuta[a]anthracene-5,10-dione
CID 23511070
(2R)-2-hydroxy-2-methyl-3,4-dihydro-1H-benzo[a]anthracene-7,12-dione
CID 132987765
(2S)-2-hydroxy-2-methyl-3,4-dihydro-1H-benzo[a]anthracene-7,12-dione
CID 162870286
1-(9H-fluoren-1-yl)anthracene-9,10-dione
CID 141480667
anthracene-9,10-dione;hydrofluoride
CID 172728823
CID 67824005
CID 67824005
CID 66807709
CID 66807709
lithium;anthracene-9,10-dione;hydride
CID 174683199
sodium 2-carboxy-9,10-dioxoanthracene-1-sulfonate
CID 23701853
hexacyclo[10.10.2.02,11.04,9.016,24.019,23]tetracosa-1,4,6,8,11,16(24),17,19(23)-octaene-3,10-dione
CID 170901544
anthracene-9,10-dione;platinum(2+);dichloride
CID 174702138
anthracene-9,10-dione;hydrate;hydrochloride
CID 177309925

Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dihydrocyclopenta[a]anthracene-2,2'-indene]-1',3',6,11-tetrone?
The IUPAC name of spiro[1,3-dihydrocyclopenta[a]anthracene-2,2'-indene]-1',3',6,11-tetrone (CID 102500026) is spiro[1,3-dihydrocyclopenta[a]anthracene-2,2'-indene]-1',3',6,11-tetrone.
What is the SMILES notation for spiro[1,3-dihydrocyclopenta[a]anthracene-2,2'-indene]-1',3',6,11-tetrone?
The canonical SMILES for spiro[1,3-dihydrocyclopenta[a]anthracene-2,2'-indene]-1',3',6,11-tetrone is O=C1c2ccccc2C(=O)c2c1ccc1c2CC2(C1)C(=O)c1ccccc1C2=O.
What is the InChIKey of spiro[1,3-dihydrocyclopenta[a]anthracene-2,2'-indene]-1',3',6,11-tetrone?
The InChIKey is GYUVITPIFMPXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14O4/c26-21-14-5-1-2-6-15(14)22(27)20-18(21)10-9-13-11-25(12-19(13)20)23(28)16-7-3-4-8-17(16)24(25)29/h1-10H,11-12H2.
What are the key properties of spiro[1,3-dihydrocyclopenta[a]anthracene-2,2'-indene]-1',3',6,11-tetrone?
spiro[1,3-dihydrocyclopenta[a]anthracene-2,2'-indene]-1',3',6,11-tetrone has a molecular weight of 378.38 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dihydrocyclopenta[a]anthracene-2,2'-indene]-1',3',6,11-tetrone is sourced from PubChem (CID 102500026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).