2,3,4,5-tetra(cyclopenta-1,3-dien-1-yl)cyclopenta-2,4-dien-1-one

C25H20O — CID 102081594

IUPAC2,3,4,5-tetra(cyclopenta-1,3-dien-1-yl)cyclopenta-2,4-dien-1-one
SMILESO=C1C(C2=CC=CC2)=C(C2=CC=CC2)C(C2=CC=CC2)=C1C1=CC=CC1
InChIInChI=1S/C25H20O/c26-25-23(19-13-5-6-14-19)21(17-9-1-2-10-17)22(18-11-3-4-12-18)24(25)20-15-7-8-16-20/h1-9,11,13,15H,10,12,14,16H2
InChIKeyUXRALZIJNLZLSG-UHFFFAOYSA-N
MW336.43 g/mol
LogP5.71
Rot. Bonds4

About 2,3,4,5-tetra(cyclopenta-1,3-dien-1-yl)cyclopenta-2,4-dien-1-one

2,3,4,5-tetra(cyclopenta-1,3-dien-1-yl)cyclopenta-2,4-dien-1-one (PubChem CID 102081594) has the molecular formula C25H20O and a molecular weight of 336.43 g/mol. Its IUPAC name is 2,3,4,5-tetra(cyclopenta-1,3-dien-1-yl)cyclopenta-2,4-dien-1-one.

Molecular Properties

Compound Name2,3,4,5-tetra(cyclopenta-1,3-dien-1-yl)cyclopenta-2,4-dien-1-one
PubChem CID102081594
Molecular FormulaC25H20O
Molecular Weight336.43 g/mol
Exact Mass336.15
IUPAC Name2,3,4,5-tetra(cyclopenta-1,3-dien-1-yl)cyclopenta-2,4-dien-1-one
SMILESO=C1C(C2=CC=CC2)=C(C2=CC=CC2)C(C2=CC=CC2)=C1C1=CC=CC1
InChIInChI=1S/C25H20O/c26-25-23(19-13-5-6-14-19)21(17-9-1-2-10-17)22(18-11-3-4-12-18)24(25)20-15-7-8-16-20/h1-9,11,13,15H,10,12,14,16H2
InChIKeyUXRALZIJNLZLSG-UHFFFAOYSA-N
XLogP5.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.43
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

lithium;1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;hydride
CID 173293173
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;nickel(2+)
CID 21161619
4,5-di(cyclopenta-1,3-dien-1-yl)pyrazol-3-one
CID 175447630
tetrakis(cyclododecane);1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene
CID 174520599
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;methanetriol
CID 174485251
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;bis(2-methylprop-2-enoic acid)
CID 174976084
1,4-dihydroindol-2-one
CID 67469329
1,2-di(cyclopenta-1,3-dien-1-yl)ethane-1,2-dione
CID 123601552
cyclopenta-1,3-dien-1-yl-λ2-stannane
CID 173389158
2,4-di(cyclopenta-1,3-dien-1-yl)-6-methyl-1,3,5-triazine
CID 170388285
benzene;1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;phenol
CID 174855850
2-fluorocyclohexa-2,4-dien-1-one
CID 18985424

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetra(cyclopenta-1,3-dien-1-yl)cyclopenta-2,4-dien-1-one?
The IUPAC name of 2,3,4,5-tetra(cyclopenta-1,3-dien-1-yl)cyclopenta-2,4-dien-1-one (CID 102081594) is 2,3,4,5-tetra(cyclopenta-1,3-dien-1-yl)cyclopenta-2,4-dien-1-one.
What is the SMILES notation for 2,3,4,5-tetra(cyclopenta-1,3-dien-1-yl)cyclopenta-2,4-dien-1-one?
The canonical SMILES for 2,3,4,5-tetra(cyclopenta-1,3-dien-1-yl)cyclopenta-2,4-dien-1-one is O=C1C(C2=CC=CC2)=C(C2=CC=CC2)C(C2=CC=CC2)=C1C1=CC=CC1.
What is the InChIKey of 2,3,4,5-tetra(cyclopenta-1,3-dien-1-yl)cyclopenta-2,4-dien-1-one?
The InChIKey is UXRALZIJNLZLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O/c26-25-23(19-13-5-6-14-19)21(17-9-1-2-10-17)22(18-11-3-4-12-18)24(25)20-15-7-8-16-20/h1-9,11,13,15H,10,12,14,16H2.
What are the key properties of 2,3,4,5-tetra(cyclopenta-1,3-dien-1-yl)cyclopenta-2,4-dien-1-one?
2,3,4,5-tetra(cyclopenta-1,3-dien-1-yl)cyclopenta-2,4-dien-1-one has a molecular weight of 336.43 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetra(cyclopenta-1,3-dien-1-yl)cyclopenta-2,4-dien-1-one is sourced from PubChem (CID 102081594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).