[3-(1-adamantyl)-1,2-bis(tritert-butylsilyl)disiliren-1-yl]-tritert-butylsilane

C47H96Si5 — CID 24744405

IUPAC[3-(1-adamantyl)-1,2-bis(tritert-butylsilyl)disiliren-1-yl]-tritert-butylsilane
SMILESCC(C)(C)[Si]([Si]1=C(C23CC4CC(CC(C4)C2)C3)[Si]1([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C47H96Si5/c1-38(2,3)50(39(4,5)6,40(7,8)9)48-37(47-31-34-28-35(32-47)30-36(29-34)33-47)49(48,51(41(10,11)12,42(13,14)15)43(16,17)18)52(44(19,20)21,45(22,23)24)46(25,26)27/h34-36H,28-33H2,1-27H3
InChIKeyPVZUIYFBKDVTDK-UHFFFAOYSA-N
MW801.71 g/mol
LogP16.31
Rot. Bonds4

About [3-(1-adamantyl)-1,2-bis(tritert-butylsilyl)disiliren-1-yl]-tritert-butylsilane

[3-(1-adamantyl)-1,2-bis(tritert-butylsilyl)disiliren-1-yl]-tritert-butylsilane (PubChem CID 24744405) has the molecular formula C47H96Si5 and a molecular weight of 801.71 g/mol. Its IUPAC name is [3-(1-adamantyl)-1,2-bis(tritert-butylsilyl)disiliren-1-yl]-tritert-butylsilane.

Molecular Properties

Compound Name[3-(1-adamantyl)-1,2-bis(tritert-butylsilyl)disiliren-1-yl]-tritert-butylsilane
PubChem CID24744405
Molecular FormulaC47H96Si5
Molecular Weight801.71 g/mol
Exact Mass800.64
IUPAC Name[3-(1-adamantyl)-1,2-bis(tritert-butylsilyl)disiliren-1-yl]-tritert-butylsilane
SMILESCC(C)(C)[Si]([Si]1=C(C23CC4CC(CC(C4)C2)C3)[Si]1([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C47H96Si5/c1-38(2,3)50(39(4,5)6,40(7,8)9)48-37(47-31-34-28-35(32-47)30-36(29-34)33-47)49(48,51(41(10,11)12,42(13,14)15)43(16,17)18)52(44(19,20)21,45(22,23)24)46(25,26)27/h34-36H,28-33H2,1-27H3
InChIKeyPVZUIYFBKDVTDK-UHFFFAOYSA-N
XLogP16.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.71
LogP ≤ 516.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [3-(1-adamantyl)-1,2-bis(tritert-butylsilyl)disiliren-1-yl]-tritert-butylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(1-adamantyl)-1,2-bis(tritert-butylsilyl)disiliren-1-yl]-tritert-butylsilane?
The IUPAC name of [3-(1-adamantyl)-1,2-bis(tritert-butylsilyl)disiliren-1-yl]-tritert-butylsilane (CID 24744405) is [3-(1-adamantyl)-1,2-bis(tritert-butylsilyl)disiliren-1-yl]-tritert-butylsilane.
What is the SMILES notation for [3-(1-adamantyl)-1,2-bis(tritert-butylsilyl)disiliren-1-yl]-tritert-butylsilane?
The canonical SMILES for [3-(1-adamantyl)-1,2-bis(tritert-butylsilyl)disiliren-1-yl]-tritert-butylsilane is CC(C)(C)[Si]([Si]1=C(C23CC4CC(CC(C4)C2)C3)[Si]1([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of [3-(1-adamantyl)-1,2-bis(tritert-butylsilyl)disiliren-1-yl]-tritert-butylsilane?
The InChIKey is PVZUIYFBKDVTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H96Si5/c1-38(2,3)50(39(4,5)6,40(7,8)9)48-37(47-31-34-28-35(32-47)30-36(29-34)33-47)49(48,51(41(10,11)12,42(13,14)15)43(16,17)18)52(44(19,20)21,45(22,23)24)46(25,26)27/h34-36H,28-33H2,1-27H3.
What are the key properties of [3-(1-adamantyl)-1,2-bis(tritert-butylsilyl)disiliren-1-yl]-tritert-butylsilane?
[3-(1-adamantyl)-1,2-bis(tritert-butylsilyl)disiliren-1-yl]-tritert-butylsilane has a molecular weight of 801.71 g/mol, XLogP of 16.31, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-adamantyl)-1,2-bis(tritert-butylsilyl)disiliren-1-yl]-tritert-butylsilane is sourced from PubChem (CID 24744405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).