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

C54H32O4 — CID 171734479

IUPAC2-[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
SMILESO=C1C(=c2ccc(=c3cc/c(=c4/ccc(=c5ccc(=C6C(=O)c7ccccc7C6=O)cc5)c(-c5ccccc5)c4)cc3-c3ccccc3)cc2)C(=O)c2ccccc21
InChIInChI=1S/C54H32O4/c55-51-43-15-7-8-16-44(43)52(56)49(51)37-23-19-35(20-24-37)41-29-27-39(31-47(41)33-11-3-1-4-12-33)40-28-30-42(48(32-40)34-13-5-2-6-14-34)36-21-25-38(26-22-36)50-53(57)45-17-9-10-18-46(45)54(50)58/h1-32H/b40-39+
InChIKeyNRLZXCSXMXMUNE-XQQUEIPISA-N
MW744.85 g/mol
LogP9.34
Rot. Bonds2

About 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

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 (PubChem CID 171734479) has the molecular formula C54H32O4 and a molecular weight of 744.85 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID171734479
Molecular FormulaC54H32O4
Molecular Weight744.85 g/mol
Exact Mass744.23
IUPAC Name2-[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
SMILESO=C1C(=c2ccc(=c3cc/c(=c4/ccc(=c5ccc(=C6C(=O)c7ccccc7C6=O)cc5)c(-c5ccccc5)c4)cc3-c3ccccc3)cc2)C(=O)c2ccccc21
InChIInChI=1S/C54H32O4/c55-51-43-15-7-8-16-44(43)52(56)49(51)37-23-19-35(20-24-37)41-29-27-39(31-47(41)33-11-3-1-4-12-33)40-28-30-42(48(32-40)34-13-5-2-6-14-34)36-21-25-38(26-22-36)50-53(57)45-17-9-10-18-46(45)54(50)58/h1-32H/b40-39+
InChIKeyNRLZXCSXMXMUNE-XQQUEIPISA-N
XLogP9.34
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.85
LogP ≤ 59.34
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-[(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 with MolForge

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Related Compounds

2-[4-(1-oxo-3-phenylinden-2-yl)phenyl]-3-phenylinden-1-one
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2-[3-(3,5-dimethylphenyl)-2-oxo-1-benzofuran-6-ylidene]indene-1,3-dione
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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
2-methyl-3-phenylinden-1-one
CID 2750462
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6-chloro-3-(7-chloro-1,4-dioxo-3-phenylnaphthalen-2-yl)-2-phenylnaphthalene-1,4-dione
CID 141466090
4-(4-phenylphenyl)fluoren-9-one
CID 129258983
1,8-diphenylanthracene-9,10-dione
CID 12637584
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
anthracene-9,10-dione;hydrofluoride
CID 172728823

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C1C(=c2ccc(=c3cc/c(=c4/ccc(=c5ccc(=C6C(=O)c7ccccc7C6=O)cc5)c(-c5ccccc5)c4)cc3-c3ccccc3)cc2)C(=O)c2ccccc21.
What is the InChIKey of 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?
The InChIKey is NRLZXCSXMXMUNE-XQQUEIPISA-N. The full InChI is InChI=1S/C54H32O4/c55-51-43-15-7-8-16-44(43)52(56)49(51)37-23-19-35(20-24-37)41-29-27-39(31-47(41)33-11-3-1-4-12-33)40-28-30-42(48(32-40)34-13-5-2-6-14-34)36-21-25-38(26-22-36)50-53(57)45-17-9-10-18-46(45)54(50)58/h1-32H/b40-39+.
What are the key properties of 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?
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 has a molecular weight of 744.85 g/mol, XLogP of 9.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171734479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).