phenoxybenzene;2,3,5-triphenylcyclopenta-2,4-dien-1-one

C35H26O2 — CID 174428112

IUPACphenoxybenzene;2,3,5-triphenylcyclopenta-2,4-dien-1-one
SMILESO=C1C(c2ccccc2)=CC(c2ccccc2)=C1c1ccccc1.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H16O.C12H10O/c24-23-21(18-12-6-2-7-13-18)16-20(17-10-4-1-5-11-17)22(23)19-14-8-3-9-15-19;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-16H;1-10H
InChIKeyXQSSJIRUZWWJPX-UHFFFAOYSA-N
MW478.59 g/mol
LogP8.74
Rot. Bonds5

About phenoxybenzene;2,3,5-triphenylcyclopenta-2,4-dien-1-one

phenoxybenzene;2,3,5-triphenylcyclopenta-2,4-dien-1-one (PubChem CID 174428112) has the molecular formula C35H26O2 and a molecular weight of 478.59 g/mol. Its IUPAC name is phenoxybenzene;2,3,5-triphenylcyclopenta-2,4-dien-1-one.

Molecular Properties

Compound Namephenoxybenzene;2,3,5-triphenylcyclopenta-2,4-dien-1-one
PubChem CID174428112
Molecular FormulaC35H26O2
Molecular Weight478.59 g/mol
Exact Mass478.19
IUPAC Namephenoxybenzene;2,3,5-triphenylcyclopenta-2,4-dien-1-one
SMILESO=C1C(c2ccccc2)=CC(c2ccccc2)=C1c1ccccc1.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H16O.C12H10O/c24-23-21(18-12-6-2-7-13-18)16-20(17-10-4-1-5-11-17)22(23)19-14-8-3-9-15-19;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-16H;1-10H
InChIKeyXQSSJIRUZWWJPX-UHFFFAOYSA-N
XLogP8.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.59
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-(4-methoxyphenyl)-2,5-diphenylcyclopenta-2,4-dien-1-one
CID 150304868
3-[4-[4-[3-oxo-5-[4-[4-[3-oxo-2,5-diphenyl-4-(4-phenylphenyl)cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-4-(4-phenylphenyl)cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2,4-diphenyl-5-(4-phenylphenyl)cyclopenta-2,4-dien-1-one
CID 89119547
4-[4-[4-[3-oxo-5-[4-[4-[3-oxo-4,5-diphenyl-2-(4-phenylphenyl)cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-4-(4-phenylphenyl)cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2,3-diphenyl-5-(4-phenylphenyl)cyclopenta-2,4-dien-1-one
CID 89382687
iron;phenoxybenzene
CID 174434720
2-amino-3,5-diphenylcyclohexa-2,5-diene-1,4-dione
CID 150421175
3-bromo-2,5-diphenylcyclohexa-2,5-diene-1,4-dione
CID 150862590
oxophosphanium;phenoxybenzene
CID 161329594
CID 159259752
CID 159259752
potassium phenoxybenzene
CID 19858586
lithium;hydride;1-phenyl-4-(4-phenylphenoxy)benzene
CID 175041898
4-[4-[4-[3-oxo-5-[4-[4-[3-oxo-2,5-diphenyl-4-[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-4-[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2,3-diphenyl-5-[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one;3-[4-[4-[3-oxo-5-[4-[4-[3-oxo-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-4-[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one;4-[4-[4-[3-oxo-5-[4-[4-[3-oxo-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-4-phenyl-2-[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-3,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one;4-[4-[4-[3-oxo-5-[4-[4-[3-oxo-4-phenyl-2,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-4-[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-3,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one
CID 161273289
3-[4-[4-[3-oxo-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one;4-[4-[4-[3-oxo-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-3,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one;4-[4-[4-[3-oxo-4-phenyl-2,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-3,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one
CID 158101422

Frequently Asked Questions

What is the IUPAC name of phenoxybenzene;2,3,5-triphenylcyclopenta-2,4-dien-1-one?
The IUPAC name of phenoxybenzene;2,3,5-triphenylcyclopenta-2,4-dien-1-one (CID 174428112) is phenoxybenzene;2,3,5-triphenylcyclopenta-2,4-dien-1-one.
What is the SMILES notation for phenoxybenzene;2,3,5-triphenylcyclopenta-2,4-dien-1-one?
The canonical SMILES for phenoxybenzene;2,3,5-triphenylcyclopenta-2,4-dien-1-one is O=C1C(c2ccccc2)=CC(c2ccccc2)=C1c1ccccc1.c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of phenoxybenzene;2,3,5-triphenylcyclopenta-2,4-dien-1-one?
The InChIKey is XQSSJIRUZWWJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16O.C12H10O/c24-23-21(18-12-6-2-7-13-18)16-20(17-10-4-1-5-11-17)22(23)19-14-8-3-9-15-19;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-16H;1-10H.
What are the key properties of phenoxybenzene;2,3,5-triphenylcyclopenta-2,4-dien-1-one?
phenoxybenzene;2,3,5-triphenylcyclopenta-2,4-dien-1-one has a molecular weight of 478.59 g/mol, XLogP of 8.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenoxybenzene;2,3,5-triphenylcyclopenta-2,4-dien-1-one is sourced from PubChem (CID 174428112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).