N-[6,12-bis[[tert-butyl(diphenyl)silyl]oxy]-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-[tert-butyl(diphenyl)silyl]oxypropanamide

C72H89NO5Si3 — CID 139291233

IUPACN-[6,12-bis[[tert-butyl(diphenyl)silyl]oxy]-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-[tert-butyl(diphenyl)silyl]oxypropanamide
SMILESCC1=CCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C=CC(C)=CC(NC(=O)C(C)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(C)C(=O)C(C)=CCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C=C1
InChIInChI=1S/C72H89NO5Si3/c1-54-45-49-59(77-80(71(9,10)11,63-37-25-17-26-38-63)64-39-27-18-28-40-64)51-47-55(2)53-67(73-69(75)58(5)76-79(70(6,7)8,61-33-21-15-22-34-61)62-35-23-16-24-36-62)57(4)68(74)56(3)48-52-60(50-46-54)78-81(72(12,13)14,65-41-29-19-30-42-65)66-43-31-20-32-44-66/h15-48,50-51,53,57-60,67H,49,52H2,1-14H3,(H,73,75)
InChIKeyUYFTVUVCTLAERU-UHFFFAOYSA-N
MW1132.76 g/mol
LogP13.28
Rot. Bonds14

About N-[6,12-bis[[tert-butyl(diphenyl)silyl]oxy]-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-[tert-butyl(diphenyl)silyl]oxypropanamide

N-[6,12-bis[[tert-butyl(diphenyl)silyl]oxy]-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-[tert-butyl(diphenyl)silyl]oxypropanamide (PubChem CID 139291233) has the molecular formula C72H89NO5Si3 and a molecular weight of 1132.76 g/mol. Its IUPAC name is N-[6,12-bis[[tert-butyl(diphenyl)silyl]oxy]-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-[tert-butyl(diphenyl)silyl]oxypropanamide.

Molecular Properties

Compound NameN-[6,12-bis[[tert-butyl(diphenyl)silyl]oxy]-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-[tert-butyl(diphenyl)silyl]oxypropanamide
PubChem CID139291233
Molecular FormulaC72H89NO5Si3
Molecular Weight1132.76 g/mol
Exact Mass1131.60
IUPAC NameN-[6,12-bis[[tert-butyl(diphenyl)silyl]oxy]-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-[tert-butyl(diphenyl)silyl]oxypropanamide
SMILESCC1=CCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C=CC(C)=CC(NC(=O)C(C)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(C)C(=O)C(C)=CCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C=C1
InChIInChI=1S/C72H89NO5Si3/c1-54-45-49-59(77-80(71(9,10)11,63-37-25-17-26-38-63)64-39-27-18-28-40-64)51-47-55(2)53-67(73-69(75)58(5)76-79(70(6,7)8,61-33-21-15-22-34-61)62-35-23-16-24-36-62)57(4)68(74)56(3)48-52-60(50-46-54)78-81(72(12,13)14,65-41-29-19-30-42-65)66-43-31-20-32-44-66/h15-48,50-51,53,57-60,67H,49,52H2,1-14H3,(H,73,75)
InChIKeyUYFTVUVCTLAERU-UHFFFAOYSA-N
XLogP13.28
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001132.76
LogP ≤ 513.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[6,12-bis[[tert-butyl(diphenyl)silyl]oxy]-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-[tert-butyl(diphenyl)silyl]oxypropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6,12-bis[[tert-butyl(diphenyl)silyl]oxy]-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-[tert-butyl(diphenyl)silyl]oxypropanamide?
The IUPAC name of N-[6,12-bis[[tert-butyl(diphenyl)silyl]oxy]-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-[tert-butyl(diphenyl)silyl]oxypropanamide (CID 139291233) is N-[6,12-bis[[tert-butyl(diphenyl)silyl]oxy]-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-[tert-butyl(diphenyl)silyl]oxypropanamide.
What is the SMILES notation for N-[6,12-bis[[tert-butyl(diphenyl)silyl]oxy]-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-[tert-butyl(diphenyl)silyl]oxypropanamide?
The canonical SMILES for N-[6,12-bis[[tert-butyl(diphenyl)silyl]oxy]-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-[tert-butyl(diphenyl)silyl]oxypropanamide is CC1=CCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C=CC(C)=CC(NC(=O)C(C)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(C)C(=O)C(C)=CCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C=C1.
What is the InChIKey of N-[6,12-bis[[tert-butyl(diphenyl)silyl]oxy]-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-[tert-butyl(diphenyl)silyl]oxypropanamide?
The InChIKey is UYFTVUVCTLAERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H89NO5Si3/c1-54-45-49-59(77-80(71(9,10)11,63-37-25-17-26-38-63)64-39-27-18-28-40-64)51-47-55(2)53-67(73-69(75)58(5)76-79(70(6,7)8,61-33-21-15-22-34-61)62-35-23-16-24-36-62)57(4)68(74)56(3)48-52-60(50-46-54)78-81(72(12,13)14,65-41-29-19-30-42-65)66-43-31-20-32-44-66/h15-48,50-51,53,57-60,67H,49,52H2,1-14H3,(H,73,75).
What are the key properties of N-[6,12-bis[[tert-butyl(diphenyl)silyl]oxy]-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-[tert-butyl(diphenyl)silyl]oxypropanamide?
N-[6,12-bis[[tert-butyl(diphenyl)silyl]oxy]-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-[tert-butyl(diphenyl)silyl]oxypropanamide has a molecular weight of 1132.76 g/mol, XLogP of 13.28, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,12-bis[[tert-butyl(diphenyl)silyl]oxy]-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-[tert-butyl(diphenyl)silyl]oxypropanamide is sourced from PubChem (CID 139291233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).