2-[2,5-bis(2-trimethylsilylethynyl)-3,4-bis[2-tri(propan-2-yl)silylethynyl]phenyl]-5-(2-trimethylsilylethynyl)-3,4-bis[2-tri(propan-2-yl)silylethynyl]cyclopenta-2,4-dien-1-one

C70H112OSi7 — CID 10820139

IUPAC2-[2,5-bis(2-trimethylsilylethynyl)-3,4-bis[2-tri(propan-2-yl)silylethynyl]phenyl]-5-(2-trimethylsilylethynyl)-3,4-bis[2-tri(propan-2-yl)silylethynyl]cyclopenta-2,4-dien-1-one
SMILESCC(C)[Si](C#CC1=C(C#C[Si](C)(C)C)C(=O)C(c2cc(C#C[Si](C)(C)C)c(C#C[Si](C(C)C)(C(C)C)C(C)C)c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2C#C[Si](C)(C)C)=C1C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C70H112OSi7/c1-49(2)75(50(3)4,51(5)6)44-37-62-61(34-41-72(25,26)27)48-68(64(35-42-73(28,29)30)63(62)38-45-76(52(7)8,53(9)10)54(11)12)69-66(40-47-78(58(19)20,59(21)22)60(23)24)65(67(70(69)71)36-43-74(31,32)33)39-46-77(55(13)14,56(15)16)57(17)18/h48-60H,1-33H3
InChIKeyVVOMGTDMVVHFFD-UHFFFAOYSA-N
MW1166.27 g/mol
LogP20.24
Rot. Bonds13

About 2-[2,5-bis(2-trimethylsilylethynyl)-3,4-bis[2-tri(propan-2-yl)silylethynyl]phenyl]-5-(2-trimethylsilylethynyl)-3,4-bis[2-tri(propan-2-yl)silylethynyl]cyclopenta-2,4-dien-1-one

2-[2,5-bis(2-trimethylsilylethynyl)-3,4-bis[2-tri(propan-2-yl)silylethynyl]phenyl]-5-(2-trimethylsilylethynyl)-3,4-bis[2-tri(propan-2-yl)silylethynyl]cyclopenta-2,4-dien-1-one (PubChem CID 10820139) has the molecular formula C70H112OSi7 and a molecular weight of 1166.27 g/mol. Its IUPAC name is 2-[2,5-bis(2-trimethylsilylethynyl)-3,4-bis[2-tri(propan-2-yl)silylethynyl]phenyl]-5-(2-trimethylsilylethynyl)-3,4-bis[2-tri(propan-2-yl)silylethynyl]cyclopenta-2,4-dien-1-one.

Molecular Properties

Compound Name2-[2,5-bis(2-trimethylsilylethynyl)-3,4-bis[2-tri(propan-2-yl)silylethynyl]phenyl]-5-(2-trimethylsilylethynyl)-3,4-bis[2-tri(propan-2-yl)silylethynyl]cyclopenta-2,4-dien-1-one
PubChem CID10820139
Molecular FormulaC70H112OSi7
Molecular Weight1166.27 g/mol
Exact Mass1164.71
IUPAC Name2-[2,5-bis(2-trimethylsilylethynyl)-3,4-bis[2-tri(propan-2-yl)silylethynyl]phenyl]-5-(2-trimethylsilylethynyl)-3,4-bis[2-tri(propan-2-yl)silylethynyl]cyclopenta-2,4-dien-1-one
SMILESCC(C)[Si](C#CC1=C(C#C[Si](C)(C)C)C(=O)C(c2cc(C#C[Si](C)(C)C)c(C#C[Si](C(C)C)(C(C)C)C(C)C)c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2C#C[Si](C)(C)C)=C1C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C70H112OSi7/c1-49(2)75(50(3)4,51(5)6)44-37-62-61(34-41-72(25,26)27)48-68(64(35-42-73(28,29)30)63(62)38-45-76(52(7)8,53(9)10)54(11)12)69-66(40-47-78(58(19)20,59(21)22)60(23)24)65(67(70(69)71)36-43-74(31,32)33)39-46-77(55(13)14,56(15)16)57(17)18/h48-60H,1-33H3
InChIKeyVVOMGTDMVVHFFD-UHFFFAOYSA-N
XLogP20.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001166.27
LogP ≤ 520.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-[2,5-bis(2-trimethylsilylethynyl)-3,4-bis[2-tri(propan-2-yl)silylethynyl]phenyl]-5-(2-trimethylsilylethynyl)-3,4-bis[2-tri(propan-2-yl)silylethynyl]cyclopenta-2,4-dien-1-one 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

1-[4-[2-Tri(propan-2-yl)silylethynyl]phenyl]ethanone
CID 11162394
1-[4-Methyl-2,6-bis(2-triethoxysilylethyl)phenyl]ethanone
CID 86182095
Mesityl(trimethylsilyl)methanone
CID 14114731
5-Butyl-7-trimethylsilyl-2,3-dihydroinden-1-one
CID 100968419
2,6-Dimethyl-4-(2-trimethylsilylethynyl)benzaldehyde
CID 10955387
1-(2-(Penta-1,3-diyn-1-yl)phenyl)-3-(trimethylsilyl)prop-2-yn-1-one
CID 89719124
(4R)-4-(4-tert-butylphenyl)-4-fluoro-1,6-bis[tri(propan-2-yl)silyl]hexa-1,5-diyn-3-one
CID 141763791
(4R)-4-fluoro-4-(4-methylphenyl)-1,6-bis[tri(propan-2-yl)silyl]hexa-1,5-diyn-3-one
CID 141763792
(4R)-4-(3,4-dimethylphenyl)-4-fluoro-1,6-bis[tri(propan-2-yl)silyl]hexa-1,5-diyn-3-one
CID 141763793
(4R)-4-fluoro-4-(3-methylphenyl)-1,6-bis[tri(propan-2-yl)silyl]hexa-1,5-diyn-3-one
CID 141763794
1-[2,6-Bis(2-trimethylsilylethyl)phenyl]ethanone
CID 21633607
1-(2,6-Dimethylphenyl)-3-trimethylsilylprop-2-yn-1-one
CID 90281125

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-bis(2-trimethylsilylethynyl)-3,4-bis[2-tri(propan-2-yl)silylethynyl]phenyl]-5-(2-trimethylsilylethynyl)-3,4-bis[2-tri(propan-2-yl)silylethynyl]cyclopenta-2,4-dien-1-one?
The IUPAC name of 2-[2,5-bis(2-trimethylsilylethynyl)-3,4-bis[2-tri(propan-2-yl)silylethynyl]phenyl]-5-(2-trimethylsilylethynyl)-3,4-bis[2-tri(propan-2-yl)silylethynyl]cyclopenta-2,4-dien-1-one (CID 10820139) is 2-[2,5-bis(2-trimethylsilylethynyl)-3,4-bis[2-tri(propan-2-yl)silylethynyl]phenyl]-5-(2-trimethylsilylethynyl)-3,4-bis[2-tri(propan-2-yl)silylethynyl]cyclopenta-2,4-dien-1-one.
What is the SMILES notation for 2-[2,5-bis(2-trimethylsilylethynyl)-3,4-bis[2-tri(propan-2-yl)silylethynyl]phenyl]-5-(2-trimethylsilylethynyl)-3,4-bis[2-tri(propan-2-yl)silylethynyl]cyclopenta-2,4-dien-1-one?
The canonical SMILES for 2-[2,5-bis(2-trimethylsilylethynyl)-3,4-bis[2-tri(propan-2-yl)silylethynyl]phenyl]-5-(2-trimethylsilylethynyl)-3,4-bis[2-tri(propan-2-yl)silylethynyl]cyclopenta-2,4-dien-1-one is CC(C)[Si](C#CC1=C(C#C[Si](C)(C)C)C(=O)C(c2cc(C#C[Si](C)(C)C)c(C#C[Si](C(C)C)(C(C)C)C(C)C)c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2C#C[Si](C)(C)C)=C1C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 2-[2,5-bis(2-trimethylsilylethynyl)-3,4-bis[2-tri(propan-2-yl)silylethynyl]phenyl]-5-(2-trimethylsilylethynyl)-3,4-bis[2-tri(propan-2-yl)silylethynyl]cyclopenta-2,4-dien-1-one?
The InChIKey is VVOMGTDMVVHFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H112OSi7/c1-49(2)75(50(3)4,51(5)6)44-37-62-61(34-41-72(25,26)27)48-68(64(35-42-73(28,29)30)63(62)38-45-76(52(7)8,53(9)10)54(11)12)69-66(40-47-78(58(19)20,59(21)22)60(23)24)65(67(70(69)71)36-43-74(31,32)33)39-46-77(55(13)14,56(15)16)57(17)18/h48-60H,1-33H3.
What are the key properties of 2-[2,5-bis(2-trimethylsilylethynyl)-3,4-bis[2-tri(propan-2-yl)silylethynyl]phenyl]-5-(2-trimethylsilylethynyl)-3,4-bis[2-tri(propan-2-yl)silylethynyl]cyclopenta-2,4-dien-1-one?
2-[2,5-bis(2-trimethylsilylethynyl)-3,4-bis[2-tri(propan-2-yl)silylethynyl]phenyl]-5-(2-trimethylsilylethynyl)-3,4-bis[2-tri(propan-2-yl)silylethynyl]cyclopenta-2,4-dien-1-one has a molecular weight of 1166.27 g/mol, XLogP of 20.24, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-bis(2-trimethylsilylethynyl)-3,4-bis[2-tri(propan-2-yl)silylethynyl]phenyl]-5-(2-trimethylsilylethynyl)-3,4-bis[2-tri(propan-2-yl)silylethynyl]cyclopenta-2,4-dien-1-one is sourced from PubChem (CID 10820139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).