[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-tri(propan-2-yl)silylcarbazol-2-yl]-tri(propan-2-yl)silane;[9-[2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-tri(propan-2-yl)silylcarbazol-2-yl]-tri(propan-2-yl)silane

C104H165BN2O6Si4 — CID 158981950

IUPAC[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-tri(propan-2-yl)silylcarbazol-2-yl]-tri(propan-2-yl)silane;[9-[2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-tri(propan-2-yl)silylcarbazol-2-yl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](c1ccc2c3ccc([Si](C(C)C)(C(C)C)C(C)C)cc3n(-c3cc(C(C)(C)CC(C)(C)C)cc(B4OC(C)(C)C(C)(C)O4)c3OC3CCCCO3)c2c1)(C(C)C)C(C)C.CC(C)[Si](c1ccc2c3ccc([Si](C(C)C)(C(C)C)C(C)C)cc3n(-c3cc(C(C)(C)CC(C)(C)C)ccc3OC3CCCCO3)c2c1)(C(C)C)C(C)C
InChIInChI=1S/C55H88BNO4Si2.C49H77NO2Si2/c1-35(2)62(36(3)4,37(5)6)42-25-27-44-45-28-26-43(63(38(7)8,39(9)10)40(11)12)33-48(45)57(47(44)32-42)49-31-41(53(16,17)34-52(13,14)15)30-46(51(49)59-50-24-22-23-29-58-50)56-60-54(18,19)55(20,21)61-56;1-32(2)53(33(3)4,34(5)6)39-22-24-41-42-25-23-40(54(35(7)8,36(9)10)37(11)12)30-44(42)50(43(41)29-39)45-28-38(49(16,17)31-48(13,14)15)21-26-46(45)52-47-20-18-19-27-51-47/h25-28,30-33,35-40,50H,22-24,29,34H2,1-21H3;21-26,28-30,32-37,47H,18-20,27,31H2,1-17H3
InChIKeyJPCOJHWEWVJBRH-UHFFFAOYSA-N
MW1662.63 g/mol
LogP28.65
Rot. Bonds27

About [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-tri(propan-2-yl)silylcarbazol-2-yl]-tri(propan-2-yl)silane;[9-[2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-tri(propan-2-yl)silylcarbazol-2-yl]-tri(propan-2-yl)silane

[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-tri(propan-2-yl)silylcarbazol-2-yl]-tri(propan-2-yl)silane;[9-[2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-tri(propan-2-yl)silylcarbazol-2-yl]-tri(propan-2-yl)silane (PubChem CID 158981950) has the molecular formula C104H165BN2O6Si4 and a molecular weight of 1662.63 g/mol. Its IUPAC name is [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-tri(propan-2-yl)silylcarbazol-2-yl]-tri(propan-2-yl)silane;[9-[2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-tri(propan-2-yl)silylcarbazol-2-yl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[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-tri(propan-2-yl)silylcarbazol-2-yl]-tri(propan-2-yl)silane;[9-[2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-tri(propan-2-yl)silylcarbazol-2-yl]-tri(propan-2-yl)silane
PubChem CID158981950
Molecular FormulaC104H165BN2O6Si4
Molecular Weight1662.63 g/mol
Exact Mass1661.18
IUPAC Name[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-tri(propan-2-yl)silylcarbazol-2-yl]-tri(propan-2-yl)silane;[9-[2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-tri(propan-2-yl)silylcarbazol-2-yl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](c1ccc2c3ccc([Si](C(C)C)(C(C)C)C(C)C)cc3n(-c3cc(C(C)(C)CC(C)(C)C)cc(B4OC(C)(C)C(C)(C)O4)c3OC3CCCCO3)c2c1)(C(C)C)C(C)C.CC(C)[Si](c1ccc2c3ccc([Si](C(C)C)(C(C)C)C(C)C)cc3n(-c3cc(C(C)(C)CC(C)(C)C)ccc3OC3CCCCO3)c2c1)(C(C)C)C(C)C
InChIInChI=1S/C55H88BNO4Si2.C49H77NO2Si2/c1-35(2)62(36(3)4,37(5)6)42-25-27-44-45-28-26-43(63(38(7)8,39(9)10)40(11)12)33-48(45)57(47(44)32-42)49-31-41(53(16,17)34-52(13,14)15)30-46(51(49)59-50-24-22-23-29-58-50)56-60-54(18,19)55(20,21)61-56;1-32(2)53(33(3)4,34(5)6)39-22-24-41-42-25-23-40(54(35(7)8,36(9)10)37(11)12)30-44(42)50(43(41)29-39)45-28-38(49(16,17)31-48(13,14)15)21-26-46(45)52-47-20-18-19-27-51-47/h25-28,30-33,35-40,50H,22-24,29,34H2,1-21H3;21-26,28-30,32-37,47H,18-20,27,31H2,1-17H3
InChIKeyJPCOJHWEWVJBRH-UHFFFAOYSA-N
XLogP28.65
TPSA65.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds27
Heavy Atoms117
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001662.63
LogP ≤ 528.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [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-tri(propan-2-yl)silylcarbazol-2-yl]-tri(propan-2-yl)silane;[9-[2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-tri(propan-2-yl)silylcarbazol-2-yl]-tri(propan-2-yl)silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [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-tri(propan-2-yl)silylcarbazol-2-yl]-tri(propan-2-yl)silane;[9-[2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-tri(propan-2-yl)silylcarbazol-2-yl]-tri(propan-2-yl)silane?
The IUPAC name of [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-tri(propan-2-yl)silylcarbazol-2-yl]-tri(propan-2-yl)silane;[9-[2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-tri(propan-2-yl)silylcarbazol-2-yl]-tri(propan-2-yl)silane (CID 158981950) is [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-tri(propan-2-yl)silylcarbazol-2-yl]-tri(propan-2-yl)silane;[9-[2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-tri(propan-2-yl)silylcarbazol-2-yl]-tri(propan-2-yl)silane.
What is the SMILES notation for [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-tri(propan-2-yl)silylcarbazol-2-yl]-tri(propan-2-yl)silane;[9-[2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-tri(propan-2-yl)silylcarbazol-2-yl]-tri(propan-2-yl)silane?
The canonical SMILES for [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-tri(propan-2-yl)silylcarbazol-2-yl]-tri(propan-2-yl)silane;[9-[2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-tri(propan-2-yl)silylcarbazol-2-yl]-tri(propan-2-yl)silane is CC(C)[Si](c1ccc2c3ccc([Si](C(C)C)(C(C)C)C(C)C)cc3n(-c3cc(C(C)(C)CC(C)(C)C)cc(B4OC(C)(C)C(C)(C)O4)c3OC3CCCCO3)c2c1)(C(C)C)C(C)C.CC(C)[Si](c1ccc2c3ccc([Si](C(C)C)(C(C)C)C(C)C)cc3n(-c3cc(C(C)(C)CC(C)(C)C)ccc3OC3CCCCO3)c2c1)(C(C)C)C(C)C.
What is the InChIKey of [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-tri(propan-2-yl)silylcarbazol-2-yl]-tri(propan-2-yl)silane;[9-[2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-tri(propan-2-yl)silylcarbazol-2-yl]-tri(propan-2-yl)silane?
The InChIKey is JPCOJHWEWVJBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H88BNO4Si2.C49H77NO2Si2/c1-35(2)62(36(3)4,37(5)6)42-25-27-44-45-28-26-43(63(38(7)8,39(9)10)40(11)12)33-48(45)57(47(44)32-42)49-31-41(53(16,17)34-52(13,14)15)30-46(51(49)59-50-24-22-23-29-58-50)56-60-54(18,19)55(20,21)61-56;1-32(2)53(33(3)4,34(5)6)39-22-24-41-42-25-23-40(54(35(7)8,36(9)10)37(11)12)30-44(42)50(43(41)29-39)45-28-38(49(16,17)31-48(13,14)15)21-26-46(45)52-47-20-18-19-27-51-47/h25-28,30-33,35-40,50H,22-24,29,34H2,1-21H3;21-26,28-30,32-37,47H,18-20,27,31H2,1-17H3.
What are the key properties of [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-tri(propan-2-yl)silylcarbazol-2-yl]-tri(propan-2-yl)silane;[9-[2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-tri(propan-2-yl)silylcarbazol-2-yl]-tri(propan-2-yl)silane?
[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-tri(propan-2-yl)silylcarbazol-2-yl]-tri(propan-2-yl)silane;[9-[2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-tri(propan-2-yl)silylcarbazol-2-yl]-tri(propan-2-yl)silane has a molecular weight of 1662.63 g/mol, XLogP of 28.65, 27 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [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-tri(propan-2-yl)silylcarbazol-2-yl]-tri(propan-2-yl)silane;[9-[2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-tri(propan-2-yl)silylcarbazol-2-yl]-tri(propan-2-yl)silane is sourced from PubChem (CID 158981950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).