ethenyl-dimethyl-[[4,6,8-tris[[ethenyl(dimethyl)silyl]oxy]-2,4,6,8-tetrakis[4-[2-(4-phenylphenyl)ethynyl]phenyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy]silane

C96H88O8Si8 — CID 102196715

IUPACethenyl-dimethyl-[[4,6,8-tris[[ethenyl(dimethyl)silyl]oxy]-2,4,6,8-tetrakis[4-[2-(4-phenylphenyl)ethynyl]phenyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy]silane
SMILESC=C[Si](C)(C)O[Si]1(c2ccc(C#Cc3ccc(-c4ccccc4)cc3)cc2)O[Si](O[Si](C)(C)C=C)(c2ccc(C#Cc3ccc(-c4ccccc4)cc3)cc2)O[Si](O[Si](C)(C)C=C)(c2ccc(C#Cc3ccc(-c4ccccc4)cc3)cc2)O[Si](O[Si](C)(C)C=C)(c2ccc(C#Cc3ccc(-c4ccccc4)cc3)cc2)O1
InChIInChI=1S/C96H88O8Si8/c1-13-105(5,6)97-109(93-69-53-81(54-70-93)41-37-77-45-61-89(62-46-77)85-29-21-17-22-30-85)101-110(98-106(7,8)14-2,94-71-55-82(56-72-94)42-38-78-47-63-90(64-48-78)86-31-23-18-24-32-86)103-112(100-108(11,12)16-4,96-75-59-84(60-76-96)44-40-80-51-67-92(68-52-80)88-35-27-20-28-36-88)104-111(102-109,99-107(9,10)15-3)95-73-57-83(58-74-95)43-39-79-49-65-91(66-50-79)87-33-25-19-26-34-87/h13-36,45-76H,1-4H2,5-12H3
InChIKeyUODARMPGKLXKMS-UHFFFAOYSA-N
MW1594.44 g/mol
LogP19.51
Rot. Bonds20

About ethenyl-dimethyl-[[4,6,8-tris[[ethenyl(dimethyl)silyl]oxy]-2,4,6,8-tetrakis[4-[2-(4-phenylphenyl)ethynyl]phenyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy]silane

ethenyl-dimethyl-[[4,6,8-tris[[ethenyl(dimethyl)silyl]oxy]-2,4,6,8-tetrakis[4-[2-(4-phenylphenyl)ethynyl]phenyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy]silane (PubChem CID 102196715) has the molecular formula C96H88O8Si8 and a molecular weight of 1594.44 g/mol. Its IUPAC name is ethenyl-dimethyl-[[4,6,8-tris[[ethenyl(dimethyl)silyl]oxy]-2,4,6,8-tetrakis[4-[2-(4-phenylphenyl)ethynyl]phenyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy]silane.

Molecular Properties

Compound Nameethenyl-dimethyl-[[4,6,8-tris[[ethenyl(dimethyl)silyl]oxy]-2,4,6,8-tetrakis[4-[2-(4-phenylphenyl)ethynyl]phenyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy]silane
PubChem CID102196715
Molecular FormulaC96H88O8Si8
Molecular Weight1594.44 g/mol
Exact Mass1592.46
IUPAC Nameethenyl-dimethyl-[[4,6,8-tris[[ethenyl(dimethyl)silyl]oxy]-2,4,6,8-tetrakis[4-[2-(4-phenylphenyl)ethynyl]phenyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy]silane
SMILESC=C[Si](C)(C)O[Si]1(c2ccc(C#Cc3ccc(-c4ccccc4)cc3)cc2)O[Si](O[Si](C)(C)C=C)(c2ccc(C#Cc3ccc(-c4ccccc4)cc3)cc2)O[Si](O[Si](C)(C)C=C)(c2ccc(C#Cc3ccc(-c4ccccc4)cc3)cc2)O[Si](O[Si](C)(C)C=C)(c2ccc(C#Cc3ccc(-c4ccccc4)cc3)cc2)O1
InChIInChI=1S/C96H88O8Si8/c1-13-105(5,6)97-109(93-69-53-81(54-70-93)41-37-77-45-61-89(62-46-77)85-29-21-17-22-30-85)101-110(98-106(7,8)14-2,94-71-55-82(56-72-94)42-38-78-47-63-90(64-48-78)86-31-23-18-24-32-86)103-112(100-108(11,12)16-4,96-75-59-84(60-76-96)44-40-80-51-67-92(68-52-80)88-35-27-20-28-36-88)104-111(102-109,99-107(9,10)15-3)95-73-57-83(58-74-95)43-39-79-49-65-91(66-50-79)87-33-25-19-26-34-87/h13-36,45-76H,1-4H2,5-12H3
InChIKeyUODARMPGKLXKMS-UHFFFAOYSA-N
XLogP19.51
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001594.44
LogP ≤ 519.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze ethenyl-dimethyl-[[4,6,8-tris[[ethenyl(dimethyl)silyl]oxy]-2,4,6,8-tetrakis[4-[2-(4-phenylphenyl)ethynyl]phenyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy]silane with MolForge

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Related Compounds

1,4-bis[4-(2-phenylethynyl)phenyl]benzene
CID 3111099
4-[2-(4-phenylphenyl)ethynyl]benzaldehyde
CID 11358016
trimethyl-[[2,4,6,8-tetrakis(4-ethenylphenyl)-4,6,8-tris(trimethylsilyloxy)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy]silane
CID 102074522
4-[4-(2-phenylethynyl)phenyl]benzaldehyde
CID 22353114
5-[2-(4-phenylphenyl)ethynyl]pyrimidine
CID 44560632
1,2-dimethyl-4-[2-(4-phenylphenyl)ethynyl]benzene
CID 143505044
1,3,5-tris[4-(2-phenylethynyl)phenyl]benzene
CID 15640933
1-phenyl-3-[2-(4-phenylphenyl)ethynyl]benzene
CID 59475328
ethenyl-dimethyl-[2-(2-phenylethynyl)phenyl]silane
CID 164683319
4-[2-(4-azulen-2-ylphenyl)ethynyl]benzaldehyde
CID 53359467
2-phenyl-5-[4-(2-phenylethynyl)phenyl]-1,3,4-oxadiazole
CID 132584993
1-[4-[2-(4-phenylphenyl)ethynyl]phenyl]propan-1-one
CID 139662703

Frequently Asked Questions

What is the IUPAC name of ethenyl-dimethyl-[[4,6,8-tris[[ethenyl(dimethyl)silyl]oxy]-2,4,6,8-tetrakis[4-[2-(4-phenylphenyl)ethynyl]phenyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy]silane?
The IUPAC name of ethenyl-dimethyl-[[4,6,8-tris[[ethenyl(dimethyl)silyl]oxy]-2,4,6,8-tetrakis[4-[2-(4-phenylphenyl)ethynyl]phenyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy]silane (CID 102196715) is ethenyl-dimethyl-[[4,6,8-tris[[ethenyl(dimethyl)silyl]oxy]-2,4,6,8-tetrakis[4-[2-(4-phenylphenyl)ethynyl]phenyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy]silane.
What is the SMILES notation for ethenyl-dimethyl-[[4,6,8-tris[[ethenyl(dimethyl)silyl]oxy]-2,4,6,8-tetrakis[4-[2-(4-phenylphenyl)ethynyl]phenyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy]silane?
The canonical SMILES for ethenyl-dimethyl-[[4,6,8-tris[[ethenyl(dimethyl)silyl]oxy]-2,4,6,8-tetrakis[4-[2-(4-phenylphenyl)ethynyl]phenyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy]silane is C=C[Si](C)(C)O[Si]1(c2ccc(C#Cc3ccc(-c4ccccc4)cc3)cc2)O[Si](O[Si](C)(C)C=C)(c2ccc(C#Cc3ccc(-c4ccccc4)cc3)cc2)O[Si](O[Si](C)(C)C=C)(c2ccc(C#Cc3ccc(-c4ccccc4)cc3)cc2)O[Si](O[Si](C)(C)C=C)(c2ccc(C#Cc3ccc(-c4ccccc4)cc3)cc2)O1.
What is the InChIKey of ethenyl-dimethyl-[[4,6,8-tris[[ethenyl(dimethyl)silyl]oxy]-2,4,6,8-tetrakis[4-[2-(4-phenylphenyl)ethynyl]phenyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy]silane?
The InChIKey is UODARMPGKLXKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H88O8Si8/c1-13-105(5,6)97-109(93-69-53-81(54-70-93)41-37-77-45-61-89(62-46-77)85-29-21-17-22-30-85)101-110(98-106(7,8)14-2,94-71-55-82(56-72-94)42-38-78-47-63-90(64-48-78)86-31-23-18-24-32-86)103-112(100-108(11,12)16-4,96-75-59-84(60-76-96)44-40-80-51-67-92(68-52-80)88-35-27-20-28-36-88)104-111(102-109,99-107(9,10)15-3)95-73-57-83(58-74-95)43-39-79-49-65-91(66-50-79)87-33-25-19-26-34-87/h13-36,45-76H,1-4H2,5-12H3.
What are the key properties of ethenyl-dimethyl-[[4,6,8-tris[[ethenyl(dimethyl)silyl]oxy]-2,4,6,8-tetrakis[4-[2-(4-phenylphenyl)ethynyl]phenyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy]silane?
ethenyl-dimethyl-[[4,6,8-tris[[ethenyl(dimethyl)silyl]oxy]-2,4,6,8-tetrakis[4-[2-(4-phenylphenyl)ethynyl]phenyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy]silane has a molecular weight of 1594.44 g/mol, XLogP of 19.51, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-dimethyl-[[4,6,8-tris[[ethenyl(dimethyl)silyl]oxy]-2,4,6,8-tetrakis[4-[2-(4-phenylphenyl)ethynyl]phenyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy]silane is sourced from PubChem (CID 102196715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).