4,8-bis(4-phenylphenyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone

C35H20O5 — CID 143653383

IUPAC4,8-bis(4-phenylphenyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone
SMILESO=C1CC(=O)c2c1c(-c1ccc(-c3ccccc3)cc1)c1c(c2-c2ccc(-c3ccccc3)cc2)C(=O)OC1=O
InChIInChI=1S/C35H20O5/c36-26-19-27(37)31-29(25-17-13-23(14-18-25)21-9-5-2-6-10-21)33-32(34(38)40-35(33)39)28(30(26)31)24-15-11-22(12-16-24)20-7-3-1-4-8-20/h1-18H,19H2
InChIKeyWMGLKFMWJFNTQE-UHFFFAOYSA-N
MW520.54 g/mol
LogP7.43
Rot. Bonds4

About 4,8-bis(4-phenylphenyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone

4,8-bis(4-phenylphenyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone (PubChem CID 143653383) has the molecular formula C35H20O5 and a molecular weight of 520.54 g/mol. Its IUPAC name is 4,8-bis(4-phenylphenyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone.

Molecular Properties

Compound Name4,8-bis(4-phenylphenyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone
PubChem CID143653383
Molecular FormulaC35H20O5
Molecular Weight520.54 g/mol
Exact Mass520.13
IUPAC Name4,8-bis(4-phenylphenyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone
SMILESO=C1CC(=O)c2c1c(-c1ccc(-c3ccccc3)cc1)c1c(c2-c2ccc(-c3ccccc3)cc2)C(=O)OC1=O
InChIInChI=1S/C35H20O5/c36-26-19-27(37)31-29(25-17-13-23(14-18-25)21-9-5-2-6-10-21)33-32(34(38)40-35(33)39)28(30(26)31)24-15-11-22(12-16-24)20-7-3-1-4-8-20/h1-18H,19H2
InChIKeyWMGLKFMWJFNTQE-UHFFFAOYSA-N
XLogP7.43
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.54
LogP ≤ 57.43
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-(1,3-dioxoinden-5-yl)-6-phenyl-2-benzofuran-1,3-dione
CID 143653406
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
6-methylidene-4-phenylfuro[3,4-e][2]benzofuran-1,3,8-trione
CID 143653389
2-(4-phenylphenyl)-1,3-dioxane-4,6-dione
CID 57182416
benzene;tris(1,1'-biphenyl)
CID 162155747
1,1'-biphenyl;cyclooctanone
CID 90108767
tris(2,3,4,5,6-pentakis-phenylphenyl)alumane
CID 177448020
1,1'-biphenyl;cycloheptane
CID 174877368
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
1,1'-biphenyl;indigane
CID 174363765
1,1'-biphenyl;hydroiodide
CID 66586334
benzene;bis(1,1'-biphenyl);methane
CID 158742993

Frequently Asked Questions

What is the IUPAC name of 4,8-bis(4-phenylphenyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone?
The IUPAC name of 4,8-bis(4-phenylphenyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone (CID 143653383) is 4,8-bis(4-phenylphenyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone.
What is the SMILES notation for 4,8-bis(4-phenylphenyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone?
The canonical SMILES for 4,8-bis(4-phenylphenyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone is O=C1CC(=O)c2c1c(-c1ccc(-c3ccccc3)cc1)c1c(c2-c2ccc(-c3ccccc3)cc2)C(=O)OC1=O.
What is the InChIKey of 4,8-bis(4-phenylphenyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone?
The InChIKey is WMGLKFMWJFNTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H20O5/c36-26-19-27(37)31-29(25-17-13-23(14-18-25)21-9-5-2-6-10-21)33-32(34(38)40-35(33)39)28(30(26)31)24-15-11-22(12-16-24)20-7-3-1-4-8-20/h1-18H,19H2.
What are the key properties of 4,8-bis(4-phenylphenyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone?
4,8-bis(4-phenylphenyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone has a molecular weight of 520.54 g/mol, XLogP of 7.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-bis(4-phenylphenyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone is sourced from PubChem (CID 143653383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).