2-(1,3-dioxo-2-phenylinden-2-yl)-2-phenylindene-1,3-dione

C30H18O4 — CID 15727

IUPAC2-(1,3-dioxo-2-phenylinden-2-yl)-2-phenylindene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1(c1ccccc1)C1(c2ccccc2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C30H18O4/c31-25-21-15-7-8-16-22(21)26(32)29(25,19-11-3-1-4-12-19)30(20-13-5-2-6-14-20)27(33)23-17-9-10-18-24(23)28(30)34/h1-18H
InChIKeyPHJGSPFWJMKOIG-UHFFFAOYSA-N
MW442.47 g/mol
LogP5.02
Rot. Bonds3

About 2-(1,3-dioxo-2-phenylinden-2-yl)-2-phenylindene-1,3-dione

2-(1,3-dioxo-2-phenylinden-2-yl)-2-phenylindene-1,3-dione (PubChem CID 15727) has the molecular formula C30H18O4 and a molecular weight of 442.47 g/mol. Its IUPAC name is 2-(1,3-dioxo-2-phenylinden-2-yl)-2-phenylindene-1,3-dione.

Molecular Properties

Compound Name2-(1,3-dioxo-2-phenylinden-2-yl)-2-phenylindene-1,3-dione
PubChem CID15727
Molecular FormulaC30H18O4
Molecular Weight442.47 g/mol
Exact Mass442.12
IUPAC Name2-(1,3-dioxo-2-phenylinden-2-yl)-2-phenylindene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1(c1ccccc1)C1(c2ccccc2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C30H18O4/c31-25-21-15-7-8-16-22(21)26(32)29(25,19-11-3-1-4-12-19)30(20-13-5-2-6-14-20)27(33)23-17-9-10-18-24(23)28(30)34/h1-18H
InChIKeyPHJGSPFWJMKOIG-UHFFFAOYSA-N
XLogP5.02
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.47
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxo-2-phenylinden-2-yl)-2-phenylindene-1,3-dione?
The IUPAC name of 2-(1,3-dioxo-2-phenylinden-2-yl)-2-phenylindene-1,3-dione (CID 15727) is 2-(1,3-dioxo-2-phenylinden-2-yl)-2-phenylindene-1,3-dione.
What is the SMILES notation for 2-(1,3-dioxo-2-phenylinden-2-yl)-2-phenylindene-1,3-dione?
The canonical SMILES for 2-(1,3-dioxo-2-phenylinden-2-yl)-2-phenylindene-1,3-dione is O=C1c2ccccc2C(=O)C1(c1ccccc1)C1(c2ccccc2)C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxo-2-phenylinden-2-yl)-2-phenylindene-1,3-dione?
The InChIKey is PHJGSPFWJMKOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18O4/c31-25-21-15-7-8-16-22(21)26(32)29(25,19-11-3-1-4-12-19)30(20-13-5-2-6-14-20)27(33)23-17-9-10-18-24(23)28(30)34/h1-18H.
What are the key properties of 2-(1,3-dioxo-2-phenylinden-2-yl)-2-phenylindene-1,3-dione?
2-(1,3-dioxo-2-phenylinden-2-yl)-2-phenylindene-1,3-dione has a molecular weight of 442.47 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxo-2-phenylinden-2-yl)-2-phenylindene-1,3-dione is sourced from PubChem (CID 15727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).