2-[(4E)-4-[4-(1,3-dioxoinden-2-ylidene)-2-[[2,6-di(propan-2-yl)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]-3-[[2,6-di(propan-2-yl)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]indene-1,3-dione

C56H52O4 — CID 171734391

IUPAC2-[(4E)-4-[4-(1,3-dioxoinden-2-ylidene)-2-[[2,6-di(propan-2-yl)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]-3-[[2,6-di(propan-2-yl)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]indene-1,3-dione
SMILESCC(C)c1cccc(C(C)C)c1Cc1cc(=C2C(=O)c3ccccc3C2=O)cc/c1=c1/ccc(=C2C(=O)c3ccccc3C2=O)cc1Cc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C56H52O4/c1-31(2)39-19-13-20-40(32(3)4)49(39)29-37-27-35(51-53(57)45-15-9-10-16-46(45)54(51)58)23-25-43(37)44-26-24-36(52-55(59)47-17-11-12-18-48(47)56(52)60)28-38(44)30-50-41(33(5)6)21-14-22-42(50)34(7)8/h9-28,31-34H,29-30H2,1-8H3/b44-43+
InChIKeyCFXQXHDGSDDOGX-VGFSZAGXSA-N
MW789.03 g/mol
LogP11.11
Rot. Bonds8

About 2-[(4E)-4-[4-(1,3-dioxoinden-2-ylidene)-2-[[2,6-di(propan-2-yl)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]-3-[[2,6-di(propan-2-yl)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]indene-1,3-dione

2-[(4E)-4-[4-(1,3-dioxoinden-2-ylidene)-2-[[2,6-di(propan-2-yl)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]-3-[[2,6-di(propan-2-yl)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]indene-1,3-dione (PubChem CID 171734391) has the molecular formula C56H52O4 and a molecular weight of 789.03 g/mol. Its IUPAC name is 2-[(4E)-4-[4-(1,3-dioxoinden-2-ylidene)-2-[[2,6-di(propan-2-yl)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]-3-[[2,6-di(propan-2-yl)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]indene-1,3-dione.

Molecular Properties

Compound Name2-[(4E)-4-[4-(1,3-dioxoinden-2-ylidene)-2-[[2,6-di(propan-2-yl)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]-3-[[2,6-di(propan-2-yl)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]indene-1,3-dione
PubChem CID171734391
Molecular FormulaC56H52O4
Molecular Weight789.03 g/mol
Exact Mass788.39
IUPAC Name2-[(4E)-4-[4-(1,3-dioxoinden-2-ylidene)-2-[[2,6-di(propan-2-yl)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]-3-[[2,6-di(propan-2-yl)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]indene-1,3-dione
SMILESCC(C)c1cccc(C(C)C)c1Cc1cc(=C2C(=O)c3ccccc3C2=O)cc/c1=c1/ccc(=C2C(=O)c3ccccc3C2=O)cc1Cc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C56H52O4/c1-31(2)39-19-13-20-40(32(3)4)49(39)29-37-27-35(51-53(57)45-15-9-10-16-46(45)54(51)58)23-25-43(37)44-26-24-36(52-55(59)47-17-11-12-18-48(47)56(52)60)28-38(44)30-50-41(33(5)6)21-14-22-42(50)34(7)8/h9-28,31-34H,29-30H2,1-8H3/b44-43+
InChIKeyCFXQXHDGSDDOGX-VGFSZAGXSA-N
XLogP11.11
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.03
LogP ≤ 511.11
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-[(4E)-4-[4-(1,3-dioxoinden-2-ylidene)-2-[[2,6-di(propan-2-yl)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]-3-[[2,6-di(propan-2-yl)phenyl]methyl]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-[[2,6-di(propan-2-yl)phenyl]methyl]cyclohepta-2,4,6-trien-1-one
CID 23381976
2-[(4E)-4-[4-(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)-2-[2,4,6-tri(propan-2-yl)phenyl]cyclohexa-2,5-dien-1-ylidene]-3-[2,4,6-tri(propan-2-yl)phenyl]cyclohexa-2,5-dien-1-ylidene]cyclopenta[b]naphthalene-1,3-dione
CID 171734502
2-[(5E)-5-[5-(1,3-dioxoinden-2-ylidene)-3-[[2,4,6-tri(propan-2-yl)phenyl]methyl]thiophen-2-ylidene]-4-[[2,4,6-tri(propan-2-yl)phenyl]methyl]thiophen-2-ylidene]indene-1,3-dione
CID 171734436
2-[4-[(4E)-4-[4-[4-(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)cyclohexa-2,5-dien-1-ylidene]-2-[2,4,6-tri(propan-2-yl)phenyl]cyclohexa-2,5-dien-1-ylidene]-3-[2,4,6-tri(propan-2-yl)phenyl]cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]cyclopenta[b]naphthalene-1,3-dione
CID 171734456
2-[2,6-di(propan-2-yl)phenyl]acetyl chloride
CID 19362782
2-methylphosphanyl-3-propan-2-ylanthracene-9,10-dione
CID 90900805
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
2-[3-(3,5-dimethylphenyl)-2-oxo-1-benzofuran-6-ylidene]indene-1,3-dione
CID 67737216
1-propan-2-yl-2-[(2-propan-2-ylphenyl)methyl]benzene
CID 15068594
2-[3-oxo-2-[2,4,6-tri(propan-2-yl)phenyl]inden-1-yl]oxy-2-[2,4,6-tri(propan-2-yl)phenyl]indene-1,3-dione
CID 10439670
2-[2,6-di(propan-2-yl)phenyl]-1-(2-phenylphenyl)ethanone
CID 176753550
(2Z)-2-[(2Z)-2-[(5E)-5-[(5Z)-5-[(1E)-1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]-3-[[2,4,6-tri(propan-2-yl)phenyl]methyl]thiophen-2-ylidene]-4-[[2,4,6-tri(propan-2-yl)phenyl]methyl]thiophen-2-ylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile
CID 171734365

Frequently Asked Questions

What is the IUPAC name of 2-[(4E)-4-[4-(1,3-dioxoinden-2-ylidene)-2-[[2,6-di(propan-2-yl)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]-3-[[2,6-di(propan-2-yl)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]indene-1,3-dione?
The IUPAC name of 2-[(4E)-4-[4-(1,3-dioxoinden-2-ylidene)-2-[[2,6-di(propan-2-yl)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]-3-[[2,6-di(propan-2-yl)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]indene-1,3-dione (CID 171734391) is 2-[(4E)-4-[4-(1,3-dioxoinden-2-ylidene)-2-[[2,6-di(propan-2-yl)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]-3-[[2,6-di(propan-2-yl)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]indene-1,3-dione.
What is the SMILES notation for 2-[(4E)-4-[4-(1,3-dioxoinden-2-ylidene)-2-[[2,6-di(propan-2-yl)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]-3-[[2,6-di(propan-2-yl)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]indene-1,3-dione?
The canonical SMILES for 2-[(4E)-4-[4-(1,3-dioxoinden-2-ylidene)-2-[[2,6-di(propan-2-yl)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]-3-[[2,6-di(propan-2-yl)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]indene-1,3-dione is CC(C)c1cccc(C(C)C)c1Cc1cc(=C2C(=O)c3ccccc3C2=O)cc/c1=c1/ccc(=C2C(=O)c3ccccc3C2=O)cc1Cc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 2-[(4E)-4-[4-(1,3-dioxoinden-2-ylidene)-2-[[2,6-di(propan-2-yl)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]-3-[[2,6-di(propan-2-yl)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]indene-1,3-dione?
The InChIKey is CFXQXHDGSDDOGX-VGFSZAGXSA-N. The full InChI is InChI=1S/C56H52O4/c1-31(2)39-19-13-20-40(32(3)4)49(39)29-37-27-35(51-53(57)45-15-9-10-16-46(45)54(51)58)23-25-43(37)44-26-24-36(52-55(59)47-17-11-12-18-48(47)56(52)60)28-38(44)30-50-41(33(5)6)21-14-22-42(50)34(7)8/h9-28,31-34H,29-30H2,1-8H3/b44-43+.
What are the key properties of 2-[(4E)-4-[4-(1,3-dioxoinden-2-ylidene)-2-[[2,6-di(propan-2-yl)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]-3-[[2,6-di(propan-2-yl)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]indene-1,3-dione?
2-[(4E)-4-[4-(1,3-dioxoinden-2-ylidene)-2-[[2,6-di(propan-2-yl)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]-3-[[2,6-di(propan-2-yl)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]indene-1,3-dione has a molecular weight of 789.03 g/mol, XLogP of 11.11, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E)-4-[4-(1,3-dioxoinden-2-ylidene)-2-[[2,6-di(propan-2-yl)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]-3-[[2,6-di(propan-2-yl)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]indene-1,3-dione is sourced from PubChem (CID 171734391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).