trimethyl-[3,17,20,34-tetramethyl-14,23,31-tris(trimethylsilyl)-3,17,20,34-tetraza-10,27-diboranonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1(35),2(36),4(9),5,7,11(16),12,14,18,21(26),22,24,28(33),29,31-pentadecaen-6-yl]silane

C46H60B2N4Si4 — CID 147485546

About trimethyl-[3,17,20,34-tetramethyl-14,23,31-tris(trimethylsilyl)-3,17,20,34-tetraza-10,27-diboranonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1(35),2(36),4(9),5,7,11(16),12,14,18,21(26),22,24,28(33),29,31-pentadecaen-6-yl]silane

trimethyl-[3,17,20,34-tetramethyl-14,23,31-tris(trimethylsilyl)-3,17,20,34-tetraza-10,27-diboranonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1(35),2(36),4(9),5,7,11(16),12,14,18,21(26),22,24,28(33),29,31-pentadecaen-6-yl]silane (PubChem CID 147485546) has the molecular formula C46H60B2N4Si4 and a molecular weight of 802.98 g/mol. Its IUPAC name is trimethyl-[3,17,20,34-tetramethyl-14,23,31-tris(trimethylsilyl)-3,17,20,34-tetraza-10,27-diboranonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1(35),2(36),4(9),5,7,11(16),12,14,18,21(26),22,24,28(33),29,31-pentadecaen-6-yl]silane.

Molecular Properties

• Compound Name: trimethyl-[3,17,20,34-tetramethyl-14,23,31-tris(trimethylsilyl)-3,17,20,34-tetraza-10,27-diboranonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1(35),2(36),4(9),5,7,11(16),12,14,18,21(26),22,24,28(33),29,31-pentadecaen-6-yl]silane
• PubChem CID: 147485546
• Molecular Formula: C46H60B2N4Si4
• Molecular Weight: 802.98 g/mol
• Exact Mass: 802.41
• IUPAC Name: trimethyl-[3,17,20,34-tetramethyl-14,23,31-tris(trimethylsilyl)-3,17,20,34-tetraza-10,27-diboranonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1(35),2(36),4(9),5,7,11(16),12,14,18,21(26),22,24,28(33),29,31-pentadecaen-6-yl]silane
• SMILES: CN1c2cc([Si](C)(C)C)ccc2B2c3ccc([Si](C)(C)C)cc3N(C)c3c2c1c1c2c3N(C)c3cc([Si](C)(C)C)ccc3B2c2ccc([Si](C)(C)C)cc2N1C
• InChI: InChI=1S/C46H60B2N4Si4/c1-49-37-25-29(53(5,6)7)17-21-33(37)47-34-22-18-31(55(11,12)13)27-39(34)51(3)45-41(47)43(49)44-42-46(45)52(4)40-28-32(56(14,15)16)20-24-36(40)48(42)35-23-19-30(54(8,9)10)26-38(35)50(44)2/h17-28H,1-16H3
• InChIKey: FEMSCMZPZRYSOJ-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	802.98
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of trimethyl-[3,17,20,34-tetramethyl-14,23,31-tris(trimethylsilyl)-3,17,20,34-tetraza-10,27-diboranonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1(35),2(36),4(9),5,7,11(16),12,14,18,21(26),22,24,28(33),29,31-pentadecaen-6-yl]silane?

The IUPAC name of trimethyl-[3,17,20,34-tetramethyl-14,23,31-tris(trimethylsilyl)-3,17,20,34-tetraza-10,27-diboranonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1(35),2(36),4(9),5,7,11(16),12,14,18,21(26),22,24,28(33),29,31-pentadecaen-6-yl]silane (CID 147485546) is trimethyl-[3,17,20,34-tetramethyl-14,23,31-tris(trimethylsilyl)-3,17,20,34-tetraza-10,27-diboranonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1(35),2(36),4(9),5,7,11(16),12,14,18,21(26),22,24,28(33),29,31-pentadecaen-6-yl]silane.

What is the SMILES notation for trimethyl-[3,17,20,34-tetramethyl-14,23,31-tris(trimethylsilyl)-3,17,20,34-tetraza-10,27-diboranonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1(35),2(36),4(9),5,7,11(16),12,14,18,21(26),22,24,28(33),29,31-pentadecaen-6-yl]silane?

The canonical SMILES for trimethyl-[3,17,20,34-tetramethyl-14,23,31-tris(trimethylsilyl)-3,17,20,34-tetraza-10,27-diboranonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1(35),2(36),4(9),5,7,11(16),12,14,18,21(26),22,24,28(33),29,31-pentadecaen-6-yl]silane is CN1c2cc([Si](C)(C)C)ccc2B2c3ccc([Si](C)(C)C)cc3N(C)c3c2c1c1c2c3N(C)c3cc([Si](C)(C)C)ccc3B2c2ccc([Si](C)(C)C)cc2N1C.

What is the InChIKey of trimethyl-[3,17,20,34-tetramethyl-14,23,31-tris(trimethylsilyl)-3,17,20,34-tetraza-10,27-diboranonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1(35),2(36),4(9),5,7,11(16),12,14,18,21(26),22,24,28(33),29,31-pentadecaen-6-yl]silane?

The InChIKey is FEMSCMZPZRYSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H60B2N4Si4/c1-49-37-25-29(53(5,6)7)17-21-33(37)47-34-22-18-31(55(11,12)13)27-39(34)51(3)45-41(47)43(49)44-42-46(45)52(4)40-28-32(56(14,15)16)20-24-36(40)48(42)35-23-19-30(54(8,9)10)26-38(35)50(44)2/h17-28H,1-16H3.

What are the key properties of trimethyl-[3,17,20,34-tetramethyl-14,23,31-tris(trimethylsilyl)-3,17,20,34-tetraza-10,27-diboranonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1(35),2(36),4(9),5,7,11(16),12,14,18,21(26),22,24,28(33),29,31-pentadecaen-6-yl]silane?

trimethyl-[3,17,20,34-tetramethyl-14,23,31-tris(trimethylsilyl)-3,17,20,34-tetraza-10,27-diboranonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1(35),2(36),4(9),5,7,11(16),12,14,18,21(26),22,24,28(33),29,31-pentadecaen-6-yl]silane has a molecular weight of 802.98 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[3,17,20,34-tetramethyl-14,23,31-tris(trimethylsilyl)-3,17,20,34-tetraza-10,27-diboranonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1(35),2(36),4(9),5,7,11(16),12,14,18,21(26),22,24,28(33),29,31-pentadecaen-6-yl]silane is sourced from PubChem (CID 147485546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).