3-[4-[2,4-bis(4-methoxyphenyl)-3-oxo-5-phenylcyclopenta-1,4-dien-1-yl]phenyl]-2,5-bis(4-methoxyphenyl)-4-phenylcyclopenta-2,4-dien-1-one

C56H42O6 — CID 70843008

IUPAC3-[4-[2,4-bis(4-methoxyphenyl)-3-oxo-5-phenylcyclopenta-1,4-dien-1-yl]phenyl]-2,5-bis(4-methoxyphenyl)-4-phenylcyclopenta-2,4-dien-1-one
SMILESCOc1ccc(C2=C(c3ccccc3)C(c3ccc(C4=C(c5ccc(OC)cc5)C(=O)C(c5ccc(OC)cc5)=C4c4ccccc4)cc3)=C(c3ccc(OC)cc3)C2=O)cc1
InChIInChI=1S/C56H42O6/c1-59-43-27-19-39(20-28-43)51-47(35-11-7-5-8-12-35)49(53(55(51)57)41-23-31-45(61-3)32-24-41)37-15-17-38(18-16-37)50-48(36-13-9-6-10-14-36)52(40-21-29-44(60-2)30-22-40)56(58)54(50)42-25-33-46(62-4)34-26-42/h5-34H,1-4H3
InChIKeyPZXCPTMLMFSYFV-UHFFFAOYSA-N
MW810.95 g/mol
LogP11.93
Rot. Bonds12

About 3-[4-[2,4-bis(4-methoxyphenyl)-3-oxo-5-phenylcyclopenta-1,4-dien-1-yl]phenyl]-2,5-bis(4-methoxyphenyl)-4-phenylcyclopenta-2,4-dien-1-one

3-[4-[2,4-bis(4-methoxyphenyl)-3-oxo-5-phenylcyclopenta-1,4-dien-1-yl]phenyl]-2,5-bis(4-methoxyphenyl)-4-phenylcyclopenta-2,4-dien-1-one (PubChem CID 70843008) has the molecular formula C56H42O6 and a molecular weight of 810.95 g/mol. Its IUPAC name is 3-[4-[2,4-bis(4-methoxyphenyl)-3-oxo-5-phenylcyclopenta-1,4-dien-1-yl]phenyl]-2,5-bis(4-methoxyphenyl)-4-phenylcyclopenta-2,4-dien-1-one.

Molecular Properties

Compound Name3-[4-[2,4-bis(4-methoxyphenyl)-3-oxo-5-phenylcyclopenta-1,4-dien-1-yl]phenyl]-2,5-bis(4-methoxyphenyl)-4-phenylcyclopenta-2,4-dien-1-one
PubChem CID70843008
Molecular FormulaC56H42O6
Molecular Weight810.95 g/mol
Exact Mass810.30
IUPAC Name3-[4-[2,4-bis(4-methoxyphenyl)-3-oxo-5-phenylcyclopenta-1,4-dien-1-yl]phenyl]-2,5-bis(4-methoxyphenyl)-4-phenylcyclopenta-2,4-dien-1-one
SMILESCOc1ccc(C2=C(c3ccccc3)C(c3ccc(C4=C(c5ccc(OC)cc5)C(=O)C(c5ccc(OC)cc5)=C4c4ccccc4)cc3)=C(c3ccc(OC)cc3)C2=O)cc1
InChIInChI=1S/C56H42O6/c1-59-43-27-19-39(20-28-43)51-47(35-11-7-5-8-12-35)49(53(55(51)57)41-23-31-45(61-3)32-24-41)37-15-17-38(18-16-37)50-48(36-13-9-6-10-14-36)52(40-21-29-44(60-2)30-22-40)56(58)54(50)42-25-33-46(62-4)34-26-42/h5-34H,1-4H3
InChIKeyPZXCPTMLMFSYFV-UHFFFAOYSA-N
XLogP11.93
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.95
LogP ≤ 511.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[4-[2,4-bis(4-methoxyphenyl)-3-oxo-5-phenylcyclopenta-1,4-dien-1-yl]phenyl]-2,5-bis(4-methoxyphenyl)-4-phenylcyclopenta-2,4-dien-1-one with MolForge

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Related Compounds

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
2,3-bis(4-methoxyphenyl)inden-1-one
CID 10991496
ethane;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one
CID 91380826
3-(4-methoxyphenyl)-2,5-diphenylcyclopenta-2,4-dien-1-one
CID 150304868
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
5-methoxy-3,4-bis(4-methoxyphenyl)-7-phenyl-1-benzofuran-2,6-dione
CID 163039669
4-(4-methoxyphenyl)-3-phenyl-1,2-dihydropyrrol-5-one
CID 56649060
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
1-methoxy-4-phenylbenzene cyanide
CID 159561637
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
2,3-dimethoxy-5-(4-methoxyphenyl)-6-methylcyclohexa-2,5-diene-1,4-dione
CID 53495227

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2,4-bis(4-methoxyphenyl)-3-oxo-5-phenylcyclopenta-1,4-dien-1-yl]phenyl]-2,5-bis(4-methoxyphenyl)-4-phenylcyclopenta-2,4-dien-1-one?
The IUPAC name of 3-[4-[2,4-bis(4-methoxyphenyl)-3-oxo-5-phenylcyclopenta-1,4-dien-1-yl]phenyl]-2,5-bis(4-methoxyphenyl)-4-phenylcyclopenta-2,4-dien-1-one (CID 70843008) is 3-[4-[2,4-bis(4-methoxyphenyl)-3-oxo-5-phenylcyclopenta-1,4-dien-1-yl]phenyl]-2,5-bis(4-methoxyphenyl)-4-phenylcyclopenta-2,4-dien-1-one.
What is the SMILES notation for 3-[4-[2,4-bis(4-methoxyphenyl)-3-oxo-5-phenylcyclopenta-1,4-dien-1-yl]phenyl]-2,5-bis(4-methoxyphenyl)-4-phenylcyclopenta-2,4-dien-1-one?
The canonical SMILES for 3-[4-[2,4-bis(4-methoxyphenyl)-3-oxo-5-phenylcyclopenta-1,4-dien-1-yl]phenyl]-2,5-bis(4-methoxyphenyl)-4-phenylcyclopenta-2,4-dien-1-one is COc1ccc(C2=C(c3ccccc3)C(c3ccc(C4=C(c5ccc(OC)cc5)C(=O)C(c5ccc(OC)cc5)=C4c4ccccc4)cc3)=C(c3ccc(OC)cc3)C2=O)cc1.
What is the InChIKey of 3-[4-[2,4-bis(4-methoxyphenyl)-3-oxo-5-phenylcyclopenta-1,4-dien-1-yl]phenyl]-2,5-bis(4-methoxyphenyl)-4-phenylcyclopenta-2,4-dien-1-one?
The InChIKey is PZXCPTMLMFSYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42O6/c1-59-43-27-19-39(20-28-43)51-47(35-11-7-5-8-12-35)49(53(55(51)57)41-23-31-45(61-3)32-24-41)37-15-17-38(18-16-37)50-48(36-13-9-6-10-14-36)52(40-21-29-44(60-2)30-22-40)56(58)54(50)42-25-33-46(62-4)34-26-42/h5-34H,1-4H3.
What are the key properties of 3-[4-[2,4-bis(4-methoxyphenyl)-3-oxo-5-phenylcyclopenta-1,4-dien-1-yl]phenyl]-2,5-bis(4-methoxyphenyl)-4-phenylcyclopenta-2,4-dien-1-one?
3-[4-[2,4-bis(4-methoxyphenyl)-3-oxo-5-phenylcyclopenta-1,4-dien-1-yl]phenyl]-2,5-bis(4-methoxyphenyl)-4-phenylcyclopenta-2,4-dien-1-one has a molecular weight of 810.95 g/mol, XLogP of 11.93, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2,4-bis(4-methoxyphenyl)-3-oxo-5-phenylcyclopenta-1,4-dien-1-yl]phenyl]-2,5-bis(4-methoxyphenyl)-4-phenylcyclopenta-2,4-dien-1-one is sourced from PubChem (CID 70843008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).