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

C32H20O6 — CID 171734451

IUPAC5-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
SMILESCOc1ccc2c(c1)C(=O)C(=c1ccc(=c3ccc(=C4C(=O)c5ccc(OC)cc5C4=O)cc3)cc1)C2=O
InChIInChI=1S/C32H20O6/c1-37-21-11-13-23-25(15-21)31(35)27(29(23)33)19-7-3-17(4-8-19)18-5-9-20(10-6-18)28-30(34)24-14-12-22(38-2)16-26(24)32(28)36/h3-16H,1-2H3/b18-17-,27-19-,28-20-
InChIKeyVTKUFGHICUHYJY-DDMZKRLRSA-N
MW500.51 g/mol
LogP3.45
Rot. Bonds2

About 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

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 (PubChem CID 171734451) has the molecular formula C32H20O6 and a molecular weight of 500.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID171734451
Molecular FormulaC32H20O6
Molecular Weight500.51 g/mol
Exact Mass500.13
IUPAC Name5-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
SMILESCOc1ccc2c(c1)C(=O)C(=c1ccc(=c3ccc(=C4C(=O)c5ccc(OC)cc5C4=O)cc3)cc1)C2=O
InChIInChI=1S/C32H20O6/c1-37-21-11-13-23-25(15-21)31(35)27(29(23)33)19-7-3-17(4-8-19)18-5-9-20(10-6-18)28-30(34)24-14-12-22(38-2)16-26(24)32(28)36/h3-16H,1-2H3/b18-17-,27-19-,28-20-
InChIKeyVTKUFGHICUHYJY-DDMZKRLRSA-N
XLogP3.45
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.51
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-6-methoxyanthracene-9,10-dione
CID 138963377
6-methoxy-2,3-dimethylinden-1-one
CID 71441575
(2Z)-2-(hydroxymethylidene)-5-methoxyindene-1,3-dione
CID 23147999
2-methoxy-6-methylfluoren-9-one
CID 169198654
2,3-dibromo-6-methoxyinden-1-one
CID 170703221
3-amino-2-(3,4-dimethoxyphenyl)-5-methoxyinden-1-one
CID 15882763
2-ethyl-3,6-dimethoxynaphthalene-1,4-dione
CID 19873115
3-bromo-2-(1-hydroxy-3,4-dioxonaphthalen-2-yl)-6-methoxynaphthalene-1,4-dione
CID 135411073
1-hydroxy-7-methoxyanthracene-9,10-dione
CID 10515079
2-hydroxy-5-methoxyindene-1,3-dione
CID 139638113
3,6-dimethoxy-10H-anthracen-9-one
CID 142018270
(2Z)-2-(2-ethylpyridazin-3-ylidene)-5-methoxyindene-1,3-dione
CID 177461237

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc2c(c1)C(=O)C(=c1ccc(=c3ccc(=C4C(=O)c5ccc(OC)cc5C4=O)cc3)cc1)C2=O.
What is the InChIKey of 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?
The InChIKey is VTKUFGHICUHYJY-DDMZKRLRSA-N. The full InChI is InChI=1S/C32H20O6/c1-37-21-11-13-23-25(15-21)31(35)27(29(23)33)19-7-3-17(4-8-19)18-5-9-20(10-6-18)28-30(34)24-14-12-22(38-2)16-26(24)32(28)36/h3-16H,1-2H3/b18-17-,27-19-,28-20-.
What are the key properties of 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?
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 has a molecular weight of 500.51 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171734451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).