5,11,17-tritert-butyl-8,8,14,14,22,22-hexamethyl-1-aza-8,14,22-trisilahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene

C36H51NSi3 — CID 158710594

IUPAC5,11,17-tritert-butyl-8,8,14,14,22,22-hexamethyl-1-aza-8,14,22-trisilahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
SMILESCC(C)(C)c1cc2c3c(c1)[Si](C)(C)c1cc(C(C)(C)C)cc4c1N3c1c(cc(C(C)(C)C)cc1[Si]4(C)C)[Si]2(C)C
InChIInChI=1S/C36H51NSi3/c1-34(2,3)22-16-25-31-26(17-22)39(12,13)28-19-24(36(7,8)9)21-30-33(28)37(31)32-27(38(25,10)11)18-23(35(4,5)6)20-29(32)40(30,14)15/h16-21H,1-15H3
InChIKeyIIQYFXQACQSNBR-UHFFFAOYSA-N
MW582.07 g/mol
LogP6.46
Rot. Bonds

About 5,11,17-tritert-butyl-8,8,14,14,22,22-hexamethyl-1-aza-8,14,22-trisilahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene

5,11,17-tritert-butyl-8,8,14,14,22,22-hexamethyl-1-aza-8,14,22-trisilahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene (PubChem CID 158710594) has the molecular formula C36H51NSi3 and a molecular weight of 582.07 g/mol. Its IUPAC name is 5,11,17-tritert-butyl-8,8,14,14,22,22-hexamethyl-1-aza-8,14,22-trisilahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene.

Molecular Properties

Compound Name5,11,17-tritert-butyl-8,8,14,14,22,22-hexamethyl-1-aza-8,14,22-trisilahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
PubChem CID158710594
Molecular FormulaC36H51NSi3
Molecular Weight582.07 g/mol
Exact Mass581.33
IUPAC Name5,11,17-tritert-butyl-8,8,14,14,22,22-hexamethyl-1-aza-8,14,22-trisilahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
SMILESCC(C)(C)c1cc2c3c(c1)[Si](C)(C)c1cc(C(C)(C)C)cc4c1N3c1c(cc(C(C)(C)C)cc1[Si]4(C)C)[Si]2(C)C
InChIInChI=1S/C36H51NSi3/c1-34(2,3)22-16-25-31-26(17-22)39(12,13)28-19-24(36(7,8)9)21-30-33(28)37(31)32-27(38(25,10)11)18-23(35(4,5)6)20-29(32)40(30,14)15/h16-21H,1-15H3
InChIKeyIIQYFXQACQSNBR-UHFFFAOYSA-N
XLogP6.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.07
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5,11,17-tritert-butyl-8,8,14,14,22,22-hexamethyl-1-aza-8,14,22-trisilahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,11,17-tritert-butyl-8,8,14,14,22,22-hexamethyl-1-aza-8,14,22-trisilahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene?
The IUPAC name of 5,11,17-tritert-butyl-8,8,14,14,22,22-hexamethyl-1-aza-8,14,22-trisilahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene (CID 158710594) is 5,11,17-tritert-butyl-8,8,14,14,22,22-hexamethyl-1-aza-8,14,22-trisilahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene.
What is the SMILES notation for 5,11,17-tritert-butyl-8,8,14,14,22,22-hexamethyl-1-aza-8,14,22-trisilahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene?
The canonical SMILES for 5,11,17-tritert-butyl-8,8,14,14,22,22-hexamethyl-1-aza-8,14,22-trisilahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene is CC(C)(C)c1cc2c3c(c1)[Si](C)(C)c1cc(C(C)(C)C)cc4c1N3c1c(cc(C(C)(C)C)cc1[Si]4(C)C)[Si]2(C)C.
What is the InChIKey of 5,11,17-tritert-butyl-8,8,14,14,22,22-hexamethyl-1-aza-8,14,22-trisilahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene?
The InChIKey is IIQYFXQACQSNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H51NSi3/c1-34(2,3)22-16-25-31-26(17-22)39(12,13)28-19-24(36(7,8)9)21-30-33(28)37(31)32-27(38(25,10)11)18-23(35(4,5)6)20-29(32)40(30,14)15/h16-21H,1-15H3.
What are the key properties of 5,11,17-tritert-butyl-8,8,14,14,22,22-hexamethyl-1-aza-8,14,22-trisilahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene?
5,11,17-tritert-butyl-8,8,14,14,22,22-hexamethyl-1-aza-8,14,22-trisilahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene has a molecular weight of 582.07 g/mol, XLogP of 6.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11,17-tritert-butyl-8,8,14,14,22,22-hexamethyl-1-aza-8,14,22-trisilahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene is sourced from PubChem (CID 158710594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).