1,3-diphenylcyclopenta[a]indene-2,4-dione

C24H14O2 — CID 11393471

IUPAC1,3-diphenylcyclopenta[a]indene-2,4-dione
SMILESO=c1c(-c2ccccc2)c2c(=O)c3ccccc3c-2c1-c1ccccc1
InChIInChI=1S/C24H14O2/c25-23-18-14-8-7-13-17(18)21-19(15-9-3-1-4-10-15)24(26)20(22(21)23)16-11-5-2-6-12-16/h1-14H
InChIKeyPNFWGMVUYMPDOA-UHFFFAOYSA-N
MW334.37 g/mol
LogP4.87
Rot. Bonds2

About 1,3-diphenylcyclopenta[a]indene-2,4-dione

1,3-diphenylcyclopenta[a]indene-2,4-dione (PubChem CID 11393471) has the molecular formula C24H14O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is 1,3-diphenylcyclopenta[a]indene-2,4-dione.

Molecular Properties

Compound Name1,3-diphenylcyclopenta[a]indene-2,4-dione
PubChem CID11393471
Molecular FormulaC24H14O2
Molecular Weight334.37 g/mol
Exact Mass334.10
IUPAC Name1,3-diphenylcyclopenta[a]indene-2,4-dione
SMILESO=c1c(-c2ccccc2)c2c(=O)c3ccccc3c-2c1-c1ccccc1
InChIInChI=1S/C24H14O2/c25-23-18-14-8-7-13-17(18)21-19(15-9-3-1-4-10-15)24(26)20(22(21)23)16-11-5-2-6-12-16/h1-14H
InChIKeyPNFWGMVUYMPDOA-UHFFFAOYSA-N
XLogP4.87
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-diphenylcyclopenta[a]indene-2,4-dione?
The IUPAC name of 1,3-diphenylcyclopenta[a]indene-2,4-dione (CID 11393471) is 1,3-diphenylcyclopenta[a]indene-2,4-dione.
What is the SMILES notation for 1,3-diphenylcyclopenta[a]indene-2,4-dione?
The canonical SMILES for 1,3-diphenylcyclopenta[a]indene-2,4-dione is O=c1c(-c2ccccc2)c2c(=O)c3ccccc3c-2c1-c1ccccc1.
What is the InChIKey of 1,3-diphenylcyclopenta[a]indene-2,4-dione?
The InChIKey is PNFWGMVUYMPDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14O2/c25-23-18-14-8-7-13-17(18)21-19(15-9-3-1-4-10-15)24(26)20(22(21)23)16-11-5-2-6-12-16/h1-14H.
What are the key properties of 1,3-diphenylcyclopenta[a]indene-2,4-dione?
1,3-diphenylcyclopenta[a]indene-2,4-dione has a molecular weight of 334.37 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylcyclopenta[a]indene-2,4-dione is sourced from PubChem (CID 11393471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).