9,9,27,27-tetramethyl-17-phenyl-2,20-diaza-9-sila-1-boranonacyclo[17.13.1.12,10.120,28.03,8.015,33.021,26.014,35.032,34]pentatriaconta-3,5,7,10,12,14(35),15(33),16,18,21,23,25,28,30,32(34)-pentadecaene

C41H33BN2Si — CID 174014887

About 9,9,27,27-tetramethyl-17-phenyl-2,20-diaza-9-sila-1-boranonacyclo[17.13.1.12,10.120,28.03,8.015,33.021,26.014,35.032,34]pentatriaconta-3,5,7,10,12,14(35),15(33),16,18,21,23,25,28,30,32(34)-pentadecaene

9,9,27,27-tetramethyl-17-phenyl-2,20-diaza-9-sila-1-boranonacyclo[17.13.1.12,10.120,28.03,8.015,33.021,26.014,35.032,34]pentatriaconta-3,5,7,10,12,14(35),15(33),16,18,21,23,25,28,30,32(34)-pentadecaene (PubChem CID 174014887) has the molecular formula C41H33BN2Si and a molecular weight of 592.63 g/mol. Its IUPAC name is 9,9,27,27-tetramethyl-17-phenyl-2,20-diaza-9-sila-1-boranonacyclo[17.13.1.12,10.120,28.03,8.015,33.021,26.014,35.032,34]pentatriaconta-3,5,7,10,12,14(35),15(33),16,18,21,23,25,28,30,32(34)-pentadecaene.

Molecular Properties

• Compound Name: 9,9,27,27-tetramethyl-17-phenyl-2,20-diaza-9-sila-1-boranonacyclo[17.13.1.12,10.120,28.03,8.015,33.021,26.014,35.032,34]pentatriaconta-3,5,7,10,12,14(35),15(33),16,18,21,23,25,28,30,32(34)-pentadecaene
• PubChem CID: 174014887
• Molecular Formula: C41H33BN2Si
• Molecular Weight: 592.63 g/mol
• Exact Mass: 592.25
• IUPAC Name: 9,9,27,27-tetramethyl-17-phenyl-2,20-diaza-9-sila-1-boranonacyclo[17.13.1.12,10.120,28.03,8.015,33.021,26.014,35.032,34]pentatriaconta-3,5,7,10,12,14(35),15(33),16,18,21,23,25,28,30,32(34)-pentadecaene
• SMILES: CC1(C)c2ccccc2N2c3cc(-c4ccccc4)cc4c3B(c3cccc1c32)N1c2ccccc2[Si](C)(C)c2cccc-4c21
• InChI: InChI=1S/C41H33BN2Si/c1-41(2)30-17-8-9-20-33(30)43-35-25-27(26-14-6-5-7-15-26)24-29-28-16-12-23-37-39(28)44(34-21-10-11-22-36(34)45(37,3)4)42(38(29)35)32-19-13-18-31(41)40(32)43/h5-25H,1-4H3
• InChIKey: BUZKTFGLMBFGAB-UHFFFAOYSA-N
• XLogP: 7.84
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.63
LogP ≤ 5	7.84
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 9,9,27,27-tetramethyl-17-phenyl-2,20-diaza-9-sila-1-boranonacyclo[17.13.1.12,10.120,28.03,8.015,33.021,26.014,35.032,34]pentatriaconta-3,5,7,10,12,14(35),15(33),16,18,21,23,25,28,30,32(34)-pentadecaene?

The IUPAC name of 9,9,27,27-tetramethyl-17-phenyl-2,20-diaza-9-sila-1-boranonacyclo[17.13.1.12,10.120,28.03,8.015,33.021,26.014,35.032,34]pentatriaconta-3,5,7,10,12,14(35),15(33),16,18,21,23,25,28,30,32(34)-pentadecaene (CID 174014887) is 9,9,27,27-tetramethyl-17-phenyl-2,20-diaza-9-sila-1-boranonacyclo[17.13.1.12,10.120,28.03,8.015,33.021,26.014,35.032,34]pentatriaconta-3,5,7,10,12,14(35),15(33),16,18,21,23,25,28,30,32(34)-pentadecaene.

What is the SMILES notation for 9,9,27,27-tetramethyl-17-phenyl-2,20-diaza-9-sila-1-boranonacyclo[17.13.1.12,10.120,28.03,8.015,33.021,26.014,35.032,34]pentatriaconta-3,5,7,10,12,14(35),15(33),16,18,21,23,25,28,30,32(34)-pentadecaene?

The canonical SMILES for 9,9,27,27-tetramethyl-17-phenyl-2,20-diaza-9-sila-1-boranonacyclo[17.13.1.12,10.120,28.03,8.015,33.021,26.014,35.032,34]pentatriaconta-3,5,7,10,12,14(35),15(33),16,18,21,23,25,28,30,32(34)-pentadecaene is CC1(C)c2ccccc2N2c3cc(-c4ccccc4)cc4c3B(c3cccc1c32)N1c2ccccc2[Si](C)(C)c2cccc-4c21.

What is the InChIKey of 9,9,27,27-tetramethyl-17-phenyl-2,20-diaza-9-sila-1-boranonacyclo[17.13.1.12,10.120,28.03,8.015,33.021,26.014,35.032,34]pentatriaconta-3,5,7,10,12,14(35),15(33),16,18,21,23,25,28,30,32(34)-pentadecaene?

The InChIKey is BUZKTFGLMBFGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H33BN2Si/c1-41(2)30-17-8-9-20-33(30)43-35-25-27(26-14-6-5-7-15-26)24-29-28-16-12-23-37-39(28)44(34-21-10-11-22-36(34)45(37,3)4)42(38(29)35)32-19-13-18-31(41)40(32)43/h5-25H,1-4H3.

What are the key properties of 9,9,27,27-tetramethyl-17-phenyl-2,20-diaza-9-sila-1-boranonacyclo[17.13.1.12,10.120,28.03,8.015,33.021,26.014,35.032,34]pentatriaconta-3,5,7,10,12,14(35),15(33),16,18,21,23,25,28,30,32(34)-pentadecaene?

9,9,27,27-tetramethyl-17-phenyl-2,20-diaza-9-sila-1-boranonacyclo[17.13.1.12,10.120,28.03,8.015,33.021,26.014,35.032,34]pentatriaconta-3,5,7,10,12,14(35),15(33),16,18,21,23,25,28,30,32(34)-pentadecaene has a molecular weight of 592.63 g/mol, XLogP of 7.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9,27,27-tetramethyl-17-phenyl-2,20-diaza-9-sila-1-boranonacyclo[17.13.1.12,10.120,28.03,8.015,33.021,26.014,35.032,34]pentatriaconta-3,5,7,10,12,14(35),15(33),16,18,21,23,25,28,30,32(34)-pentadecaene is sourced from PubChem (CID 174014887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).