(4E)-4-ethylidene-1-methyl-2-[4-(4-phenylphenyl)phenyl]pyrazolidine-3,5-dione

C24H20N2O2 — CID 22945015

IUPAC(4E)-4-ethylidene-1-methyl-2-[4-(4-phenylphenyl)phenyl]pyrazolidine-3,5-dione
SMILESC/C=C1\C(=O)N(C)N(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)C1=O
InChIInChI=1S/C24H20N2O2/c1-3-22-23(27)25(2)26(24(22)28)21-15-13-20(14-16-21)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h3-16H,1-2H3/b22-3+
InChIKeyWJNZOBUZHYIBTB-HEQWTUPCSA-N
MW368.44 g/mol
LogP4.69
Rot. Bonds3

About (4E)-4-ethylidene-1-methyl-2-[4-(4-phenylphenyl)phenyl]pyrazolidine-3,5-dione

(4E)-4-ethylidene-1-methyl-2-[4-(4-phenylphenyl)phenyl]pyrazolidine-3,5-dione (PubChem CID 22945015) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is (4E)-4-ethylidene-1-methyl-2-[4-(4-phenylphenyl)phenyl]pyrazolidine-3,5-dione.

Molecular Properties

Compound Name(4E)-4-ethylidene-1-methyl-2-[4-(4-phenylphenyl)phenyl]pyrazolidine-3,5-dione
PubChem CID22945015
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name(4E)-4-ethylidene-1-methyl-2-[4-(4-phenylphenyl)phenyl]pyrazolidine-3,5-dione
SMILESC/C=C1\C(=O)N(C)N(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)C1=O
InChIInChI=1S/C24H20N2O2/c1-3-22-23(27)25(2)26(24(22)28)21-15-13-20(14-16-21)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h3-16H,1-2H3/b22-3+
InChIKeyWJNZOBUZHYIBTB-HEQWTUPCSA-N
XLogP4.69
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_D(46)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

1,5-dimethyl-2-(4-phenylphenyl)pyrazol-3-one
CID 166783776
4-[bis(methylsulfanyl)methylidene]-1-methyl-2-phenylpyrazolidine-3,5-dione
CID 10803753
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
5-[[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 126002114
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
3-ethylidene-1-methylindol-2-one
CID 85157103
1-methyl-3-[(4-phenylphenyl)methylidene]indol-2-one
CID 4209070
1,1'-biphenyl;methanethioic S-acid
CID 157330643
benzene;1,1'-biphenyl;(E)-but-2-ene;ethane
CID 161147131
5-ethylidene-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 20693559
1,2-diphenylpyrazolidine-3,4,5-trione
CID 162788375
3-phenyl-5-[(4-phenylphenyl)methylidene]imidazolidine-2,4-dione
CID 2928322

Frequently Asked Questions

What is the IUPAC name of (4E)-4-ethylidene-1-methyl-2-[4-(4-phenylphenyl)phenyl]pyrazolidine-3,5-dione?
The IUPAC name of (4E)-4-ethylidene-1-methyl-2-[4-(4-phenylphenyl)phenyl]pyrazolidine-3,5-dione (CID 22945015) is (4E)-4-ethylidene-1-methyl-2-[4-(4-phenylphenyl)phenyl]pyrazolidine-3,5-dione.
What is the SMILES notation for (4E)-4-ethylidene-1-methyl-2-[4-(4-phenylphenyl)phenyl]pyrazolidine-3,5-dione?
The canonical SMILES for (4E)-4-ethylidene-1-methyl-2-[4-(4-phenylphenyl)phenyl]pyrazolidine-3,5-dione is C/C=C1\C(=O)N(C)N(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)C1=O.
What is the InChIKey of (4E)-4-ethylidene-1-methyl-2-[4-(4-phenylphenyl)phenyl]pyrazolidine-3,5-dione?
The InChIKey is WJNZOBUZHYIBTB-HEQWTUPCSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-3-22-23(27)25(2)26(24(22)28)21-15-13-20(14-16-21)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h3-16H,1-2H3/b22-3+.
What are the key properties of (4E)-4-ethylidene-1-methyl-2-[4-(4-phenylphenyl)phenyl]pyrazolidine-3,5-dione?
(4E)-4-ethylidene-1-methyl-2-[4-(4-phenylphenyl)phenyl]pyrazolidine-3,5-dione has a molecular weight of 368.44 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-ethylidene-1-methyl-2-[4-(4-phenylphenyl)phenyl]pyrazolidine-3,5-dione is sourced from PubChem (CID 22945015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).