4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;tris(2-methylpropyl)-[9-[2-(oxan-2-yloxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-[tris(2-methylpropyl)silyl]carbazol-2-yl]silane;tris(2-methylpropyl)-[9-[2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-[tris(2-methylpropyl)silyl]carbazol-2-yl]silane

C125H208B2N2O9Si4 — CID 158324143

IUPAC4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;tris(2-methylpropyl)-[9-[2-(oxan-2-yloxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-[tris(2-methylpropyl)silyl]carbazol-2-yl]silane;tris(2-methylpropyl)-[9-[2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-[tris(2-methylpropyl)silyl]carbazol-2-yl]silane
SMILESCC(C)C[Si](CC(C)C)(CC(C)C)c1ccc2c3ccc([Si](CC(C)C)(CC(C)C)CC(C)C)cc3n(-c3cc(C(C)(C)CC(C)(C)C)cc(B4OC(C)(C)C(C)(C)O4)c3OC3CCCCO3)c2c1.CC(C)C[Si](CC(C)C)(CC(C)C)c1ccc2c3ccc([Si](CC(C)C)(CC(C)C)CC(C)C)cc3n(-c3cc(C(C)(C)CC(C)(C)C)ccc3OC3CCCCO3)c2c1.CC(C)OB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C61H100BNO4Si2.C55H89NO2Si2.C9H19BO3/c1-41(2)34-68(35-42(3)4,36-43(5)6)48-25-27-50-51-28-26-49(69(37-44(7)8,38-45(9)10)39-46(11)12)33-54(51)63(53(50)32-48)55-31-47(59(16,17)40-58(13,14)15)30-52(57(55)65-56-24-22-23-29-64-56)62-66-60(18,19)61(20,21)67-62;1-38(2)31-59(32-39(3)4,33-40(5)6)45-22-24-47-48-25-23-46(60(34-41(7)8,35-42(9)10)36-43(11)12)30-50(48)56(49(47)29-45)51-28-44(55(16,17)37-54(13,14)15)21-26-52(51)58-53-20-18-19-27-57-53;1-7(2)11-10-12-8(3,4)9(5,6)13-10/h25-28,30-33,41-46,56H,22-24,29,34-40H2,1-21H3;21-26,28-30,38-43,53H,18-20,27,31-37H2,1-17H3;7H,1-6H3
InChIKeyGPEZQGAZVLRSRX-UHFFFAOYSA-N
MW2017.01 g/mol
LogP33.60
Rot. Bonds41

About 4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;tris(2-methylpropyl)-[9-[2-(oxan-2-yloxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-[tris(2-methylpropyl)silyl]carbazol-2-yl]silane;tris(2-methylpropyl)-[9-[2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-[tris(2-methylpropyl)silyl]carbazol-2-yl]silane

4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;tris(2-methylpropyl)-[9-[2-(oxan-2-yloxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-[tris(2-methylpropyl)silyl]carbazol-2-yl]silane;tris(2-methylpropyl)-[9-[2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-[tris(2-methylpropyl)silyl]carbazol-2-yl]silane (PubChem CID 158324143) has the molecular formula C125H208B2N2O9Si4 and a molecular weight of 2017.01 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;tris(2-methylpropyl)-[9-[2-(oxan-2-yloxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-[tris(2-methylpropyl)silyl]carbazol-2-yl]silane;tris(2-methylpropyl)-[9-[2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-[tris(2-methylpropyl)silyl]carbazol-2-yl]silane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;tris(2-methylpropyl)-[9-[2-(oxan-2-yloxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-[tris(2-methylpropyl)silyl]carbazol-2-yl]silane;tris(2-methylpropyl)-[9-[2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-[tris(2-methylpropyl)silyl]carbazol-2-yl]silane
PubChem CID158324143
Molecular FormulaC125H208B2N2O9Si4
Molecular Weight2017.01 g/mol
Exact Mass2015.51
IUPAC Name4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;tris(2-methylpropyl)-[9-[2-(oxan-2-yloxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-[tris(2-methylpropyl)silyl]carbazol-2-yl]silane;tris(2-methylpropyl)-[9-[2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-[tris(2-methylpropyl)silyl]carbazol-2-yl]silane
SMILESCC(C)C[Si](CC(C)C)(CC(C)C)c1ccc2c3ccc([Si](CC(C)C)(CC(C)C)CC(C)C)cc3n(-c3cc(C(C)(C)CC(C)(C)C)cc(B4OC(C)(C)C(C)(C)O4)c3OC3CCCCO3)c2c1.CC(C)C[Si](CC(C)C)(CC(C)C)c1ccc2c3ccc([Si](CC(C)C)(CC(C)C)CC(C)C)cc3n(-c3cc(C(C)(C)CC(C)(C)C)ccc3OC3CCCCO3)c2c1.CC(C)OB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C61H100BNO4Si2.C55H89NO2Si2.C9H19BO3/c1-41(2)34-68(35-42(3)4,36-43(5)6)48-25-27-50-51-28-26-49(69(37-44(7)8,38-45(9)10)39-46(11)12)33-54(51)63(53(50)32-48)55-31-47(59(16,17)40-58(13,14)15)30-52(57(55)65-56-24-22-23-29-64-56)62-66-60(18,19)61(20,21)67-62;1-38(2)31-59(32-39(3)4,33-40(5)6)45-22-24-47-48-25-23-46(60(34-41(7)8,35-42(9)10)36-43(11)12)30-50(48)56(49(47)29-45)51-28-44(55(16,17)37-54(13,14)15)21-26-52(51)58-53-20-18-19-27-57-53;1-7(2)11-10-12-8(3,4)9(5,6)13-10/h25-28,30-33,41-46,56H,22-24,29,34-40H2,1-21H3;21-26,28-30,38-43,53H,18-20,27,31-37H2,1-17H3;7H,1-6H3
InChIKeyGPEZQGAZVLRSRX-UHFFFAOYSA-N
XLogP33.60
TPSA92.93 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds41
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002017.01
LogP ≤ 533.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;tris(2-methylpropyl)-[9-[2-(oxan-2-yloxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-[tris(2-methylpropyl)silyl]carbazol-2-yl]silane;tris(2-methylpropyl)-[9-[2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-[tris(2-methylpropyl)silyl]carbazol-2-yl]silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;tris(2-methylpropyl)-[9-[2-(oxan-2-yloxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-[tris(2-methylpropyl)silyl]carbazol-2-yl]silane;tris(2-methylpropyl)-[9-[2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-[tris(2-methylpropyl)silyl]carbazol-2-yl]silane?
The IUPAC name of 4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;tris(2-methylpropyl)-[9-[2-(oxan-2-yloxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-[tris(2-methylpropyl)silyl]carbazol-2-yl]silane;tris(2-methylpropyl)-[9-[2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-[tris(2-methylpropyl)silyl]carbazol-2-yl]silane (CID 158324143) is 4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;tris(2-methylpropyl)-[9-[2-(oxan-2-yloxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-[tris(2-methylpropyl)silyl]carbazol-2-yl]silane;tris(2-methylpropyl)-[9-[2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-[tris(2-methylpropyl)silyl]carbazol-2-yl]silane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;tris(2-methylpropyl)-[9-[2-(oxan-2-yloxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-[tris(2-methylpropyl)silyl]carbazol-2-yl]silane;tris(2-methylpropyl)-[9-[2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-[tris(2-methylpropyl)silyl]carbazol-2-yl]silane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;tris(2-methylpropyl)-[9-[2-(oxan-2-yloxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-[tris(2-methylpropyl)silyl]carbazol-2-yl]silane;tris(2-methylpropyl)-[9-[2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-[tris(2-methylpropyl)silyl]carbazol-2-yl]silane is CC(C)C[Si](CC(C)C)(CC(C)C)c1ccc2c3ccc([Si](CC(C)C)(CC(C)C)CC(C)C)cc3n(-c3cc(C(C)(C)CC(C)(C)C)cc(B4OC(C)(C)C(C)(C)O4)c3OC3CCCCO3)c2c1.CC(C)C[Si](CC(C)C)(CC(C)C)c1ccc2c3ccc([Si](CC(C)C)(CC(C)C)CC(C)C)cc3n(-c3cc(C(C)(C)CC(C)(C)C)ccc3OC3CCCCO3)c2c1.CC(C)OB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;tris(2-methylpropyl)-[9-[2-(oxan-2-yloxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-[tris(2-methylpropyl)silyl]carbazol-2-yl]silane;tris(2-methylpropyl)-[9-[2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-[tris(2-methylpropyl)silyl]carbazol-2-yl]silane?
The InChIKey is GPEZQGAZVLRSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H100BNO4Si2.C55H89NO2Si2.C9H19BO3/c1-41(2)34-68(35-42(3)4,36-43(5)6)48-25-27-50-51-28-26-49(69(37-44(7)8,38-45(9)10)39-46(11)12)33-54(51)63(53(50)32-48)55-31-47(59(16,17)40-58(13,14)15)30-52(57(55)65-56-24-22-23-29-64-56)62-66-60(18,19)61(20,21)67-62;1-38(2)31-59(32-39(3)4,33-40(5)6)45-22-24-47-48-25-23-46(60(34-41(7)8,35-42(9)10)36-43(11)12)30-50(48)56(49(47)29-45)51-28-44(55(16,17)37-54(13,14)15)21-26-52(51)58-53-20-18-19-27-57-53;1-7(2)11-10-12-8(3,4)9(5,6)13-10/h25-28,30-33,41-46,56H,22-24,29,34-40H2,1-21H3;21-26,28-30,38-43,53H,18-20,27,31-37H2,1-17H3;7H,1-6H3.
What are the key properties of 4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;tris(2-methylpropyl)-[9-[2-(oxan-2-yloxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-[tris(2-methylpropyl)silyl]carbazol-2-yl]silane;tris(2-methylpropyl)-[9-[2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-[tris(2-methylpropyl)silyl]carbazol-2-yl]silane?
4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;tris(2-methylpropyl)-[9-[2-(oxan-2-yloxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-[tris(2-methylpropyl)silyl]carbazol-2-yl]silane;tris(2-methylpropyl)-[9-[2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-[tris(2-methylpropyl)silyl]carbazol-2-yl]silane has a molecular weight of 2017.01 g/mol, XLogP of 33.60, 41 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;tris(2-methylpropyl)-[9-[2-(oxan-2-yloxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-[tris(2-methylpropyl)silyl]carbazol-2-yl]silane;tris(2-methylpropyl)-[9-[2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-[tris(2-methylpropyl)silyl]carbazol-2-yl]silane is sourced from PubChem (CID 158324143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).