13,24-diaza-1-boranonacyclo[15.13.2.12,6.07,12.014,31.018,23.024,32.025,30.013,33]tritriaconta-2(33),3,5,7,9,11,14,16,18,20,22,25,27,29,31-pentadecaen-15-yl(trimethyl)silane

C33H25BN2Si — CID 177271805

About 13,24-diaza-1-boranonacyclo[15.13.2.12,6.07,12.014,31.018,23.024,32.025,30.013,33]tritriaconta-2(33),3,5,7,9,11,14,16,18,20,22,25,27,29,31-pentadecaen-15-yl(trimethyl)silane

13,24-diaza-1-boranonacyclo[15.13.2.12,6.07,12.014,31.018,23.024,32.025,30.013,33]tritriaconta-2(33),3,5,7,9,11,14,16,18,20,22,25,27,29,31-pentadecaen-15-yl(trimethyl)silane (PubChem CID 177271805) has the molecular formula C33H25BN2Si and a molecular weight of 488.48 g/mol. Its IUPAC name is 13,24-diaza-1-boranonacyclo[15.13.2.12,6.07,12.014,31.018,23.024,32.025,30.013,33]tritriaconta-2(33),3,5,7,9,11,14,16,18,20,22,25,27,29,31-pentadecaen-15-yl(trimethyl)silane.

Molecular Properties

• Compound Name: 13,24-diaza-1-boranonacyclo[15.13.2.12,6.07,12.014,31.018,23.024,32.025,30.013,33]tritriaconta-2(33),3,5,7,9,11,14,16,18,20,22,25,27,29,31-pentadecaen-15-yl(trimethyl)silane
• PubChem CID: 177271805
• Molecular Formula: C33H25BN2Si
• Molecular Weight: 488.48 g/mol
• Exact Mass: 488.19
• IUPAC Name: 13,24-diaza-1-boranonacyclo[15.13.2.12,6.07,12.014,31.018,23.024,32.025,30.013,33]tritriaconta-2(33),3,5,7,9,11,14,16,18,20,22,25,27,29,31-pentadecaen-15-yl(trimethyl)silane
• SMILES: C[Si](C)(C)c1cc2c3ccccc3n3c2c2c1-n1c4ccccc4c4cccc(c41)B2c1ccccc1-3
• InChI: InChI=1S/C33H25BN2Si/c1-37(2,3)29-19-23-21-12-5-7-16-26(21)35-28-18-9-6-14-24(28)34-25-15-10-13-22-20-11-4-8-17-27(20)36(31(22)25)33(29)30(34)32(23)35/h4-19H,1-3H3
• InChIKey: MVCMZHSXBSJMFG-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.48
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 13,24-diaza-1-boranonacyclo[15.13.2.12,6.07,12.014,31.018,23.024,32.025,30.013,33]tritriaconta-2(33),3,5,7,9,11,14,16,18,20,22,25,27,29,31-pentadecaen-15-yl(trimethyl)silane?

The IUPAC name of 13,24-diaza-1-boranonacyclo[15.13.2.12,6.07,12.014,31.018,23.024,32.025,30.013,33]tritriaconta-2(33),3,5,7,9,11,14,16,18,20,22,25,27,29,31-pentadecaen-15-yl(trimethyl)silane (CID 177271805) is 13,24-diaza-1-boranonacyclo[15.13.2.12,6.07,12.014,31.018,23.024,32.025,30.013,33]tritriaconta-2(33),3,5,7,9,11,14,16,18,20,22,25,27,29,31-pentadecaen-15-yl(trimethyl)silane.

What is the SMILES notation for 13,24-diaza-1-boranonacyclo[15.13.2.12,6.07,12.014,31.018,23.024,32.025,30.013,33]tritriaconta-2(33),3,5,7,9,11,14,16,18,20,22,25,27,29,31-pentadecaen-15-yl(trimethyl)silane?

The canonical SMILES for 13,24-diaza-1-boranonacyclo[15.13.2.12,6.07,12.014,31.018,23.024,32.025,30.013,33]tritriaconta-2(33),3,5,7,9,11,14,16,18,20,22,25,27,29,31-pentadecaen-15-yl(trimethyl)silane is C[Si](C)(C)c1cc2c3ccccc3n3c2c2c1-n1c4ccccc4c4cccc(c41)B2c1ccccc1-3.

What is the InChIKey of 13,24-diaza-1-boranonacyclo[15.13.2.12,6.07,12.014,31.018,23.024,32.025,30.013,33]tritriaconta-2(33),3,5,7,9,11,14,16,18,20,22,25,27,29,31-pentadecaen-15-yl(trimethyl)silane?

The InChIKey is MVCMZHSXBSJMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25BN2Si/c1-37(2,3)29-19-23-21-12-5-7-16-26(21)35-28-18-9-6-14-24(28)34-25-15-10-13-22-20-11-4-8-17-27(20)36(31(22)25)33(29)30(34)32(23)35/h4-19H,1-3H3.

What are the key properties of 13,24-diaza-1-boranonacyclo[15.13.2.12,6.07,12.014,31.018,23.024,32.025,30.013,33]tritriaconta-2(33),3,5,7,9,11,14,16,18,20,22,25,27,29,31-pentadecaen-15-yl(trimethyl)silane?

13,24-diaza-1-boranonacyclo[15.13.2.12,6.07,12.014,31.018,23.024,32.025,30.013,33]tritriaconta-2(33),3,5,7,9,11,14,16,18,20,22,25,27,29,31-pentadecaen-15-yl(trimethyl)silane has a molecular weight of 488.48 g/mol, XLogP of 5.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 13,24-diaza-1-boranonacyclo[15.13.2.12,6.07,12.014,31.018,23.024,32.025,30.013,33]tritriaconta-2(33),3,5,7,9,11,14,16,18,20,22,25,27,29,31-pentadecaen-15-yl(trimethyl)silane is sourced from PubChem (CID 177271805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).