2-[4-[4-(5,6-dimethyl-1,3-dioxoinden-2-ylidene)cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]-5,6-dimethylindene-1,3-dione

C34H24O4 — CID 171734376

IUPAC2-[4-[4-(5,6-dimethyl-1,3-dioxoinden-2-ylidene)cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]-5,6-dimethylindene-1,3-dione
SMILESCc1cc2c(cc1C)C(=O)C(=c1ccc(=c3ccc(=C4C(=O)c5cc(C)c(C)cc5C4=O)cc3)cc1)C2=O
InChIInChI=1S/C34H24O4/c1-17-13-25-26(14-18(17)2)32(36)29(31(25)35)23-9-5-21(6-10-23)22-7-11-24(12-8-22)30-33(37)27-15-19(3)20(4)16-28(27)34(30)38/h5-16H,1-4H3
InChIKeyFZGAWFZHPJNTRF-UHFFFAOYSA-N
MW496.56 g/mol
LogP4.67
Rot. Bonds

About 2-[4-[4-(5,6-dimethyl-1,3-dioxoinden-2-ylidene)cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]-5,6-dimethylindene-1,3-dione

2-[4-[4-(5,6-dimethyl-1,3-dioxoinden-2-ylidene)cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]-5,6-dimethylindene-1,3-dione (PubChem CID 171734376) has the molecular formula C34H24O4 and a molecular weight of 496.56 g/mol. Its IUPAC name is 2-[4-[4-(5,6-dimethyl-1,3-dioxoinden-2-ylidene)cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]-5,6-dimethylindene-1,3-dione.

Molecular Properties

Compound Name2-[4-[4-(5,6-dimethyl-1,3-dioxoinden-2-ylidene)cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]-5,6-dimethylindene-1,3-dione
PubChem CID171734376
Molecular FormulaC34H24O4
Molecular Weight496.56 g/mol
Exact Mass496.17
IUPAC Name2-[4-[4-(5,6-dimethyl-1,3-dioxoinden-2-ylidene)cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]-5,6-dimethylindene-1,3-dione
SMILESCc1cc2c(cc1C)C(=O)C(=c1ccc(=c3ccc(=C4C(=O)c5cc(C)c(C)cc5C4=O)cc3)cc1)C2=O
InChIInChI=1S/C34H24O4/c1-17-13-25-26(14-18(17)2)32(36)29(31(25)35)23-9-5-21(6-10-23)22-7-11-24(12-8-22)30-33(37)27-15-19(3)20(4)16-28(27)34(30)38/h5-16H,1-4H3
InChIKeyFZGAWFZHPJNTRF-UHFFFAOYSA-N
XLogP4.67
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.56
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}

Analyze 2-[4-[4-(5,6-dimethyl-1,3-dioxoinden-2-ylidene)cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]-5,6-dimethylindene-1,3-dione with MolForge

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Related Compounds

5-methoxy-2-[4-[4-(5-methoxy-1,3-dioxoinden-2-ylidene)cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]indene-1,3-dione
CID 171734451
1,4-dimethylanthracene-9,10-dione;2,3-dimethylanthracene-9,10-dione
CID 158117057
3-(3,7-dimethyl-1,4-dioxonaphthalen-2-yl)-2,6-dimethylnaphthalene-1,4-dione
CID 59053380
5,6-dimethylindene-1,3-dione
CID 15140857
2-chloro-3-methylanthracene-9,10-dione;2,3-dichloroanthracene-9,10-dione
CID 162025224
2-[4-[(4E)-4-[4-[4-(1,3-dioxoinden-2-ylidene)cyclohexa-2,5-dien-1-ylidene]-3-phenylcyclohexa-2,5-dien-1-ylidene]-2-phenylcyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]indene-1,3-dione
CID 171734479
7-hydroxy-2-methoxy-1,6-dimethylanthracene-9,10-dione
CID 156783023
3,6,7-trimethylnaphthalene-1,2-dione
CID 45092899
2,3-dimethyl-11H-benzo[a]carbazole-5,6-dione
CID 11807923
6-hydroxy-2,3-bis(2-methylphenyl)inden-1-one
CID 177165667
2-butyl-3,6,7-trimethylnaphthalene-1,4-dione
CID 66728219
2-acetyl-3-methylanthracene-9,10-dione
CID 141079935

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(5,6-dimethyl-1,3-dioxoinden-2-ylidene)cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]-5,6-dimethylindene-1,3-dione?
The IUPAC name of 2-[4-[4-(5,6-dimethyl-1,3-dioxoinden-2-ylidene)cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]-5,6-dimethylindene-1,3-dione (CID 171734376) is 2-[4-[4-(5,6-dimethyl-1,3-dioxoinden-2-ylidene)cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]-5,6-dimethylindene-1,3-dione.
What is the SMILES notation for 2-[4-[4-(5,6-dimethyl-1,3-dioxoinden-2-ylidene)cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]-5,6-dimethylindene-1,3-dione?
The canonical SMILES for 2-[4-[4-(5,6-dimethyl-1,3-dioxoinden-2-ylidene)cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]-5,6-dimethylindene-1,3-dione is Cc1cc2c(cc1C)C(=O)C(=c1ccc(=c3ccc(=C4C(=O)c5cc(C)c(C)cc5C4=O)cc3)cc1)C2=O.
What is the InChIKey of 2-[4-[4-(5,6-dimethyl-1,3-dioxoinden-2-ylidene)cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]-5,6-dimethylindene-1,3-dione?
The InChIKey is FZGAWFZHPJNTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24O4/c1-17-13-25-26(14-18(17)2)32(36)29(31(25)35)23-9-5-21(6-10-23)22-7-11-24(12-8-22)30-33(37)27-15-19(3)20(4)16-28(27)34(30)38/h5-16H,1-4H3.
What are the key properties of 2-[4-[4-(5,6-dimethyl-1,3-dioxoinden-2-ylidene)cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]-5,6-dimethylindene-1,3-dione?
2-[4-[4-(5,6-dimethyl-1,3-dioxoinden-2-ylidene)cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]-5,6-dimethylindene-1,3-dione has a molecular weight of 496.56 g/mol, XLogP of 4.67, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(5,6-dimethyl-1,3-dioxoinden-2-ylidene)cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]-5,6-dimethylindene-1,3-dione is sourced from PubChem (CID 171734376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).