benzene;tris(trimethyl-[2-[methyl-[2-[methyl-bis[2-[methyl-bis(2-trimethylsilylethynyl)silyl]ethynyl]silyl]ethynyl]-(2-trimethylsilylethynyl)silyl]ethynyl]silane)

C174H252Si30 — CID 139183794

IUPACbenzene;tris(trimethyl-[2-[methyl-[2-[methyl-bis[2-[methyl-bis(2-trimethylsilylethynyl)silyl]ethynyl]silyl]ethynyl]-(2-trimethylsilylethynyl)silyl]ethynyl]silane)
SMILESC[Si](C)(C)C#C[Si](C)(C#C[Si](C)(C)C)C#C[Si](C)(C#C[Si](C)(C#C[Si](C)(C)C)C#C[Si](C)(C)C)C#C[Si](C)(C#C[Si](C)(C)C)C#C[Si](C)(C)C.C[Si](C)(C)C#C[Si](C)(C#C[Si](C)(C)C)C#C[Si](C)(C#C[Si](C)(C#C[Si](C)(C)C)C#C[Si](C)(C)C)C#C[Si](C)(C#C[Si](C)(C)C)C#C[Si](C)(C)C.C[Si](C)(C)C#C[Si](C)(C#C[Si](C)(C)C)C#C[Si](C)(C#C[Si](C)(C#C[Si](C)(C)C)C#C[Si](C)(C)C)C#C[Si](C)(C#C[Si](C)(C)C)C#C[Si](C)(C)C.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/3C40H66Si10.9C6H6/c3*1-41(2,3)23-29-47(19,30-24-42(4,5)6)35-38-50(22,39-36-48(20,31-25-43(7,8)9)32-26-44(10,11)12)40-37-49(21,33-27-45(13,14)15)34-28-46(16,17)18;9*1-2-4-6-5-3-1/h3*1-22H3;9*1-6H
InChIKeyOZCMIMMVWSTNDX-UHFFFAOYSA-N
MW3186.51 g/mol
LogP42.38
Rot. Bonds

About benzene;tris(trimethyl-[2-[methyl-[2-[methyl-bis[2-[methyl-bis(2-trimethylsilylethynyl)silyl]ethynyl]silyl]ethynyl]-(2-trimethylsilylethynyl)silyl]ethynyl]silane)

benzene;tris(trimethyl-[2-[methyl-[2-[methyl-bis[2-[methyl-bis(2-trimethylsilylethynyl)silyl]ethynyl]silyl]ethynyl]-(2-trimethylsilylethynyl)silyl]ethynyl]silane) (PubChem CID 139183794) has the molecular formula C174H252Si30 and a molecular weight of 3186.51 g/mol. Its IUPAC name is benzene;tris(trimethyl-[2-[methyl-[2-[methyl-bis[2-[methyl-bis(2-trimethylsilylethynyl)silyl]ethynyl]silyl]ethynyl]-(2-trimethylsilylethynyl)silyl]ethynyl]silane).

Molecular Properties

Compound Namebenzene;tris(trimethyl-[2-[methyl-[2-[methyl-bis[2-[methyl-bis(2-trimethylsilylethynyl)silyl]ethynyl]silyl]ethynyl]-(2-trimethylsilylethynyl)silyl]ethynyl]silane)
PubChem CID139183794
Molecular FormulaC174H252Si30
Molecular Weight3186.51 g/mol
Exact Mass3181.28
IUPAC Namebenzene;tris(trimethyl-[2-[methyl-[2-[methyl-bis[2-[methyl-bis(2-trimethylsilylethynyl)silyl]ethynyl]silyl]ethynyl]-(2-trimethylsilylethynyl)silyl]ethynyl]silane)
SMILESC[Si](C)(C)C#C[Si](C)(C#C[Si](C)(C)C)C#C[Si](C)(C#C[Si](C)(C#C[Si](C)(C)C)C#C[Si](C)(C)C)C#C[Si](C)(C#C[Si](C)(C)C)C#C[Si](C)(C)C.C[Si](C)(C)C#C[Si](C)(C#C[Si](C)(C)C)C#C[Si](C)(C#C[Si](C)(C#C[Si](C)(C)C)C#C[Si](C)(C)C)C#C[Si](C)(C#C[Si](C)(C)C)C#C[Si](C)(C)C.C[Si](C)(C)C#C[Si](C)(C#C[Si](C)(C)C)C#C[Si](C)(C#C[Si](C)(C#C[Si](C)(C)C)C#C[Si](C)(C)C)C#C[Si](C)(C#C[Si](C)(C)C)C#C[Si](C)(C)C.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/3C40H66Si10.9C6H6/c3*1-41(2,3)23-29-47(19,30-24-42(4,5)6)35-38-50(22,39-36-48(20,31-25-43(7,8)9)32-26-44(10,11)12)40-37-49(21,33-27-45(13,14)15)34-28-46(16,17)18;9*1-2-4-6-5-3-1/h3*1-22H3;9*1-6H
InChIKeyOZCMIMMVWSTNDX-UHFFFAOYSA-N
XLogP42.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms204
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003186.51
LogP ≤ 542.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze benzene;tris(trimethyl-[2-[methyl-[2-[methyl-bis[2-[methyl-bis(2-trimethylsilylethynyl)silyl]ethynyl]silyl]ethynyl]-(2-trimethylsilylethynyl)silyl]ethynyl]silane) with MolForge

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Related Compounds

chloro-methyl-bis(2-trimethylsilylethynyl)silane
CID 14323260
diphenyl(2-trimethylsilylethynyl)sulfanium
CID 101247630
trimethyl-(3-methyl-3-phenylbut-1-ynyl)silane
CID 68608831
[(E)-3,4-diphenylbut-3-en-1-ynyl]-trimethylsilane
CID 135024613
chloro-diphenyl-(3-trimethylsilylprop-2-ynoxy)silane
CID 11393815
trimethyl-[(3E,5Z)-5-methyl-6-phenylhexa-3,5-dien-1-ynyl]silane
CID 101267060
polane;trimethyl(prop-1-ynyl)silane
CID 173409758
trimethyl-[2-(2-trimethylsilylethynoxy)ethynyl]silane
CID 14292255
2-[4-(2-diphenylphosphorylethynyl)phenyl]ethynyl-trimethylsilane
CID 102360951
trimethyl-[2-[(2S,3S)-3-phenyloxiran-2-yl]ethynyl]silane
CID 15649748
3-trimethylsilylprop-2-ynoic acid
CID 2760863
3-trimethylsilyl(113C)prop-2-ynoic acid
CID 101015647

Frequently Asked Questions

What is the IUPAC name of benzene;tris(trimethyl-[2-[methyl-[2-[methyl-bis[2-[methyl-bis(2-trimethylsilylethynyl)silyl]ethynyl]silyl]ethynyl]-(2-trimethylsilylethynyl)silyl]ethynyl]silane)?
The IUPAC name of benzene;tris(trimethyl-[2-[methyl-[2-[methyl-bis[2-[methyl-bis(2-trimethylsilylethynyl)silyl]ethynyl]silyl]ethynyl]-(2-trimethylsilylethynyl)silyl]ethynyl]silane) (CID 139183794) is benzene;tris(trimethyl-[2-[methyl-[2-[methyl-bis[2-[methyl-bis(2-trimethylsilylethynyl)silyl]ethynyl]silyl]ethynyl]-(2-trimethylsilylethynyl)silyl]ethynyl]silane).
What is the SMILES notation for benzene;tris(trimethyl-[2-[methyl-[2-[methyl-bis[2-[methyl-bis(2-trimethylsilylethynyl)silyl]ethynyl]silyl]ethynyl]-(2-trimethylsilylethynyl)silyl]ethynyl]silane)?
The canonical SMILES for benzene;tris(trimethyl-[2-[methyl-[2-[methyl-bis[2-[methyl-bis(2-trimethylsilylethynyl)silyl]ethynyl]silyl]ethynyl]-(2-trimethylsilylethynyl)silyl]ethynyl]silane) is C[Si](C)(C)C#C[Si](C)(C#C[Si](C)(C)C)C#C[Si](C)(C#C[Si](C)(C#C[Si](C)(C)C)C#C[Si](C)(C)C)C#C[Si](C)(C#C[Si](C)(C)C)C#C[Si](C)(C)C.C[Si](C)(C)C#C[Si](C)(C#C[Si](C)(C)C)C#C[Si](C)(C#C[Si](C)(C#C[Si](C)(C)C)C#C[Si](C)(C)C)C#C[Si](C)(C#C[Si](C)(C)C)C#C[Si](C)(C)C.C[Si](C)(C)C#C[Si](C)(C#C[Si](C)(C)C)C#C[Si](C)(C#C[Si](C)(C#C[Si](C)(C)C)C#C[Si](C)(C)C)C#C[Si](C)(C#C[Si](C)(C)C)C#C[Si](C)(C)C.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;tris(trimethyl-[2-[methyl-[2-[methyl-bis[2-[methyl-bis(2-trimethylsilylethynyl)silyl]ethynyl]silyl]ethynyl]-(2-trimethylsilylethynyl)silyl]ethynyl]silane)?
The InChIKey is OZCMIMMVWSTNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C40H66Si10.9C6H6/c3*1-41(2,3)23-29-47(19,30-24-42(4,5)6)35-38-50(22,39-36-48(20,31-25-43(7,8)9)32-26-44(10,11)12)40-37-49(21,33-27-45(13,14)15)34-28-46(16,17)18;9*1-2-4-6-5-3-1/h3*1-22H3;9*1-6H.
What are the key properties of benzene;tris(trimethyl-[2-[methyl-[2-[methyl-bis[2-[methyl-bis(2-trimethylsilylethynyl)silyl]ethynyl]silyl]ethynyl]-(2-trimethylsilylethynyl)silyl]ethynyl]silane)?
benzene;tris(trimethyl-[2-[methyl-[2-[methyl-bis[2-[methyl-bis(2-trimethylsilylethynyl)silyl]ethynyl]silyl]ethynyl]-(2-trimethylsilylethynyl)silyl]ethynyl]silane) has a molecular weight of 3186.51 g/mol, XLogP of 42.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;tris(trimethyl-[2-[methyl-[2-[methyl-bis[2-[methyl-bis(2-trimethylsilylethynyl)silyl]ethynyl]silyl]ethynyl]-(2-trimethylsilylethynyl)silyl]ethynyl]silane) is sourced from PubChem (CID 139183794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).