4-[4-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)naphthalen-1-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one

C26H22O2 — CID 18737433

IUPAC4-[4-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)naphthalen-1-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one
SMILESCC1=CC(=c2ccc(=C3C=C(C)C(=O)C(C)=C3)c3ccccc23)C=C(C)C1=O
InChIInChI=1S/C26H22O2/c1-15-11-19(12-16(2)25(15)27)21-9-10-22(24-8-6-5-7-23(21)24)20-13-17(3)26(28)18(4)14-20/h5-14H,1-4H3
InChIKeyUFOJXBKZXKIXPW-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.09
Rot. Bonds

About 4-[4-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)naphthalen-1-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one

4-[4-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)naphthalen-1-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one (PubChem CID 18737433) has the molecular formula C26H22O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-[4-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)naphthalen-1-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name4-[4-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)naphthalen-1-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one
PubChem CID18737433
Molecular FormulaC26H22O2
Molecular Weight366.46 g/mol
Exact Mass366.16
IUPAC Name4-[4-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)naphthalen-1-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one
SMILESCC1=CC(=c2ccc(=C3C=C(C)C(=O)C(C)=C3)c3ccccc23)C=C(C)C1=O
InChIInChI=1S/C26H22O2/c1-15-11-19(12-16(2)25(15)27)21-9-10-22(24-8-6-5-7-23(21)24)20-13-17(3)26(28)18(4)14-20/h5-14H,1-4H3
InChIKeyUFOJXBKZXKIXPW-UHFFFAOYSA-N
XLogP4.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[4-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)naphthalen-1-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one with MolForge

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Related Compounds

4-[5-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)furan-2-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one
CID 14924160
CID 132965849
CID 132965849
2,6-dimethyl-4-phenyliminocyclohexa-2,5-dien-1-one
CID 12612114
2-methylnaphthalene-1,4-dione
CID 102070817
N-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)benzamide
CID 5089876
9,10-dimethoxy-2-methylanthracene-1,4-dione
CID 14283285
2,6-dimethyl-4-sulfanylidenecyclohexa-2,5-dien-1-one
CID 100937387
2,6-dimethyl-4-[(naphthalen-1-yldiazenyl)methylidene]cyclohexa-2,5-dien-1-one
CID 20683540
2,6-dimethyl-4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-one
CID 11550271
(4E)-2-methyl-4-[(2Z)-2-(3-methyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one
CID 20759610
4,19,23,38-tetramethylnonacyclo[20.16.0.03,20.05,18.06,11.012,17.024,37.025,30.031,36]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25,27,29,31,33,35,37-octadecaene-2,21-dione
CID 88563209
(E)-N-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-3-phenylprop-2-enamide
CID 6267512

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)naphthalen-1-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one?
The IUPAC name of 4-[4-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)naphthalen-1-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one (CID 18737433) is 4-[4-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)naphthalen-1-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one.
What is the SMILES notation for 4-[4-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)naphthalen-1-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one?
The canonical SMILES for 4-[4-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)naphthalen-1-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one is CC1=CC(=c2ccc(=C3C=C(C)C(=O)C(C)=C3)c3ccccc23)C=C(C)C1=O.
What is the InChIKey of 4-[4-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)naphthalen-1-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one?
The InChIKey is UFOJXBKZXKIXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O2/c1-15-11-19(12-16(2)25(15)27)21-9-10-22(24-8-6-5-7-23(21)24)20-13-17(3)26(28)18(4)14-20/h5-14H,1-4H3.
What are the key properties of 4-[4-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)naphthalen-1-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one?
4-[4-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)naphthalen-1-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one has a molecular weight of 366.46 g/mol, XLogP of 4.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)naphthalen-1-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one is sourced from PubChem (CID 18737433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).