2-(4-methylphenyl)-5-[3-[4-(4-methylphenyl)-5-oxo-2,3-diphenylcyclopenta-1,3-dien-1-yl]phenyl]-3,4-diphenylcyclopenta-2,4-dien-1-one

C54H38O2 — CID 10771140

IUPAC2-(4-methylphenyl)-5-[3-[4-(4-methylphenyl)-5-oxo-2,3-diphenylcyclopenta-1,3-dien-1-yl]phenyl]-3,4-diphenylcyclopenta-2,4-dien-1-one
SMILESCc1ccc(C2=C(c3ccccc3)C(c3ccccc3)=C(c3cccc(C4=C(c5ccccc5)C(c5ccccc5)=C(c5ccc(C)cc5)C4=O)c3)C2=O)cc1
InChIInChI=1S/C54H38O2/c1-35-26-30-41(31-27-35)49-45(37-16-7-3-8-17-37)47(39-20-11-5-12-21-39)51(53(49)55)43-24-15-25-44(34-43)52-48(40-22-13-6-14-23-40)46(38-18-9-4-10-19-38)50(54(52)56)42-32-28-36(2)29-33-42/h3-34H,1-2H3
InChIKeyBWQHVWCHINNHFC-UHFFFAOYSA-N
MW718.90 g/mol
LogP12.51
Rot. Bonds8

About 2-(4-methylphenyl)-5-[3-[4-(4-methylphenyl)-5-oxo-2,3-diphenylcyclopenta-1,3-dien-1-yl]phenyl]-3,4-diphenylcyclopenta-2,4-dien-1-one

2-(4-methylphenyl)-5-[3-[4-(4-methylphenyl)-5-oxo-2,3-diphenylcyclopenta-1,3-dien-1-yl]phenyl]-3,4-diphenylcyclopenta-2,4-dien-1-one (PubChem CID 10771140) has the molecular formula C54H38O2 and a molecular weight of 718.90 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-[3-[4-(4-methylphenyl)-5-oxo-2,3-diphenylcyclopenta-1,3-dien-1-yl]phenyl]-3,4-diphenylcyclopenta-2,4-dien-1-one.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-[3-[4-(4-methylphenyl)-5-oxo-2,3-diphenylcyclopenta-1,3-dien-1-yl]phenyl]-3,4-diphenylcyclopenta-2,4-dien-1-one
PubChem CID10771140
Molecular FormulaC54H38O2
Molecular Weight718.90 g/mol
Exact Mass718.29
IUPAC Name2-(4-methylphenyl)-5-[3-[4-(4-methylphenyl)-5-oxo-2,3-diphenylcyclopenta-1,3-dien-1-yl]phenyl]-3,4-diphenylcyclopenta-2,4-dien-1-one
SMILESCc1ccc(C2=C(c3ccccc3)C(c3ccccc3)=C(c3cccc(C4=C(c5ccccc5)C(c5ccccc5)=C(c5ccc(C)cc5)C4=O)c3)C2=O)cc1
InChIInChI=1S/C54H38O2/c1-35-26-30-41(31-27-35)49-45(37-16-7-3-8-17-37)47(39-20-11-5-12-21-39)51(53(49)55)43-24-15-25-44(34-43)52-48(40-22-13-6-14-23-40)46(38-18-9-4-10-19-38)50(54(52)56)42-32-28-36(2)29-33-42/h3-34H,1-2H3
InChIKeyBWQHVWCHINNHFC-UHFFFAOYSA-N
XLogP12.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.90
LogP ≤ 512.51
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

2,5-bis(3,5-dimethylphenyl)-3,4-diphenylcyclopenta-2,4-dien-1-one
CID 142347274
ethane;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one
CID 91380826
2,5-bis(3,4-diphenylphenyl)-3,4-diphenylcyclopenta-2,4-dien-1-one
CID 166446387
3-[3-[3-oxo-2,4-diphenyl-5-[3-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenyl]-2,5-diphenyl-4-[3-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one
CID 71210162
1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene
CID 142935427
2-(4-methylphenyl)-3-[3-(4-methylphenyl)-1,4-dioxonaphthalen-2-yl]naphthalene-1,4-dione
CID 141466102
3,4-bis(4-fluorophenyl)-2,5-diphenylcyclopenta-2,4-dien-1-one
CID 634528
3,4-bis(4-bromophenyl)-2,5-diphenylcyclopenta-2,4-dien-1-one
CID 3106868
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
2,5-bis(4-ethylphenyl)-3,4-diphenylcyclopenta-2,4-dien-1-one
CID 13263066
3-(3-ethynylphenyl)-2,4,5-triphenylcyclopenta-2,4-dien-1-one
CID 150087629
3-(4-methylphenyl)-4-[4-[2-[4-[3-oxo-2,4-diphenyl-5-[4-(trifluoromethyl)phenyl]cyclopenta-1,4-dien-1-yl]phenyl]ethynyl]phenyl]-2,5-diphenylcyclopenta-2,4-dien-1-one
CID 123533466

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-[3-[4-(4-methylphenyl)-5-oxo-2,3-diphenylcyclopenta-1,3-dien-1-yl]phenyl]-3,4-diphenylcyclopenta-2,4-dien-1-one?
The IUPAC name of 2-(4-methylphenyl)-5-[3-[4-(4-methylphenyl)-5-oxo-2,3-diphenylcyclopenta-1,3-dien-1-yl]phenyl]-3,4-diphenylcyclopenta-2,4-dien-1-one (CID 10771140) is 2-(4-methylphenyl)-5-[3-[4-(4-methylphenyl)-5-oxo-2,3-diphenylcyclopenta-1,3-dien-1-yl]phenyl]-3,4-diphenylcyclopenta-2,4-dien-1-one.
What is the SMILES notation for 2-(4-methylphenyl)-5-[3-[4-(4-methylphenyl)-5-oxo-2,3-diphenylcyclopenta-1,3-dien-1-yl]phenyl]-3,4-diphenylcyclopenta-2,4-dien-1-one?
The canonical SMILES for 2-(4-methylphenyl)-5-[3-[4-(4-methylphenyl)-5-oxo-2,3-diphenylcyclopenta-1,3-dien-1-yl]phenyl]-3,4-diphenylcyclopenta-2,4-dien-1-one is Cc1ccc(C2=C(c3ccccc3)C(c3ccccc3)=C(c3cccc(C4=C(c5ccccc5)C(c5ccccc5)=C(c5ccc(C)cc5)C4=O)c3)C2=O)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-[3-[4-(4-methylphenyl)-5-oxo-2,3-diphenylcyclopenta-1,3-dien-1-yl]phenyl]-3,4-diphenylcyclopenta-2,4-dien-1-one?
The InChIKey is BWQHVWCHINNHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38O2/c1-35-26-30-41(31-27-35)49-45(37-16-7-3-8-17-37)47(39-20-11-5-12-21-39)51(53(49)55)43-24-15-25-44(34-43)52-48(40-22-13-6-14-23-40)46(38-18-9-4-10-19-38)50(54(52)56)42-32-28-36(2)29-33-42/h3-34H,1-2H3.
What are the key properties of 2-(4-methylphenyl)-5-[3-[4-(4-methylphenyl)-5-oxo-2,3-diphenylcyclopenta-1,3-dien-1-yl]phenyl]-3,4-diphenylcyclopenta-2,4-dien-1-one?
2-(4-methylphenyl)-5-[3-[4-(4-methylphenyl)-5-oxo-2,3-diphenylcyclopenta-1,3-dien-1-yl]phenyl]-3,4-diphenylcyclopenta-2,4-dien-1-one has a molecular weight of 718.90 g/mol, XLogP of 12.51, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-[3-[4-(4-methylphenyl)-5-oxo-2,3-diphenylcyclopenta-1,3-dien-1-yl]phenyl]-3,4-diphenylcyclopenta-2,4-dien-1-one is sourced from PubChem (CID 10771140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).