5-(1,3-dioxoinden-5-yl)-6-phenyl-2-benzofuran-1,3-dione

C23H12O5 — CID 143653406

IUPAC5-(1,3-dioxoinden-5-yl)-6-phenyl-2-benzofuran-1,3-dione
SMILESO=C1CC(=O)c2cc(-c3cc4c(cc3-c3ccccc3)C(=O)OC4=O)ccc21
InChIInChI=1S/C23H12O5/c24-20-11-21(25)17-8-13(6-7-14(17)20)16-10-19-18(22(26)28-23(19)27)9-15(16)12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyZUKKQCDIHHLMBN-UHFFFAOYSA-N
MW368.34 g/mol
LogP4.10
Rot. Bonds2

About 5-(1,3-dioxoinden-5-yl)-6-phenyl-2-benzofuran-1,3-dione

5-(1,3-dioxoinden-5-yl)-6-phenyl-2-benzofuran-1,3-dione (PubChem CID 143653406) has the molecular formula C23H12O5 and a molecular weight of 368.34 g/mol. Its IUPAC name is 5-(1,3-dioxoinden-5-yl)-6-phenyl-2-benzofuran-1,3-dione.

Molecular Properties

Compound Name5-(1,3-dioxoinden-5-yl)-6-phenyl-2-benzofuran-1,3-dione
PubChem CID143653406
Molecular FormulaC23H12O5
Molecular Weight368.34 g/mol
Exact Mass368.07
IUPAC Name5-(1,3-dioxoinden-5-yl)-6-phenyl-2-benzofuran-1,3-dione
SMILESO=C1CC(=O)c2cc(-c3cc4c(cc3-c3ccccc3)C(=O)OC4=O)ccc21
InChIInChI=1S/C23H12O5/c24-20-11-21(25)17-8-13(6-7-14(17)20)16-10-19-18(22(26)28-23(19)27)9-15(16)12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyZUKKQCDIHHLMBN-UHFFFAOYSA-N
XLogP4.10
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[4-[4-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]phenyl]phenyl]-2-benzofuran-1,3-dione
CID 102372125
2-(4-phenylphenyl)bicyclo[2.2.0]hexa-1,3,5-triene
CID 174878589
12-hydroxy-6,15-dioxatetracyclo[9.7.0.04,17.08,13]octadeca-1(18),2,4(17),8(13),9,11-hexaene-5,7,14,16-tetrone
CID 57145576
4-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione
CID 159533939
1,2,4-triphenylbenzene
CID 518325
11-phenylnonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2(48),3,5(47),6(46),7,9(45),10,12,14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,43-tetracosaene
CID 135036112
4,8-bis(4-phenylphenyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone
CID 143653383
2,3,6,7-tetraphenyltetraphenylene
CID 134982386
5-[4-[1,3-dioxo-4-(trifluoromethyl)-2-benzofuran-5-yl]-2,5-diphenylphenyl]-4-(trifluoromethyl)-2-benzofuran-1,3-dione
CID 163600179
2-benzofuran-1,3-dione
CID 163894732
2-benzofuran-1,3-dione
CID 123741998
benzene-1,4-diamine;5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione
CID 159673650

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dioxoinden-5-yl)-6-phenyl-2-benzofuran-1,3-dione?
The IUPAC name of 5-(1,3-dioxoinden-5-yl)-6-phenyl-2-benzofuran-1,3-dione (CID 143653406) is 5-(1,3-dioxoinden-5-yl)-6-phenyl-2-benzofuran-1,3-dione.
What is the SMILES notation for 5-(1,3-dioxoinden-5-yl)-6-phenyl-2-benzofuran-1,3-dione?
The canonical SMILES for 5-(1,3-dioxoinden-5-yl)-6-phenyl-2-benzofuran-1,3-dione is O=C1CC(=O)c2cc(-c3cc4c(cc3-c3ccccc3)C(=O)OC4=O)ccc21.
What is the InChIKey of 5-(1,3-dioxoinden-5-yl)-6-phenyl-2-benzofuran-1,3-dione?
The InChIKey is ZUKKQCDIHHLMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12O5/c24-20-11-21(25)17-8-13(6-7-14(17)20)16-10-19-18(22(26)28-23(19)27)9-15(16)12-4-2-1-3-5-12/h1-10H,11H2.
What are the key properties of 5-(1,3-dioxoinden-5-yl)-6-phenyl-2-benzofuran-1,3-dione?
5-(1,3-dioxoinden-5-yl)-6-phenyl-2-benzofuran-1,3-dione has a molecular weight of 368.34 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dioxoinden-5-yl)-6-phenyl-2-benzofuran-1,3-dione is sourced from PubChem (CID 143653406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).