7,7-diphenyl-20-(2,4,6-trimethylphenyl)spiro[14,20-diaza-7-sila-1-boranonacyclo[17.14.1.12,6.08,13.015,34.021,33.023,31.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15(34),16,18,21,23(31),24,26,28,32-pentadecaene-30,9'-fluorene]

C64H45BN2Si — CID 155645458

About 7,7-diphenyl-20-(2,4,6-trimethylphenyl)spiro[14,20-diaza-7-sila-1-boranonacyclo[17.14.1.12,6.08,13.015,34.021,33.023,31.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15(34),16,18,21,23(31),24,26,28,32-pentadecaene-30,9'-fluorene]

7,7-diphenyl-20-(2,4,6-trimethylphenyl)spiro[14,20-diaza-7-sila-1-boranonacyclo[17.14.1.12,6.08,13.015,34.021,33.023,31.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15(34),16,18,21,23(31),24,26,28,32-pentadecaene-30,9'-fluorene] (PubChem CID 155645458) has the molecular formula C64H45BN2Si and a molecular weight of 880.98 g/mol. Its IUPAC name is 7,7-diphenyl-20-(2,4,6-trimethylphenyl)spiro[14,20-diaza-7-sila-1-boranonacyclo[17.14.1.12,6.08,13.015,34.021,33.023,31.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15(34),16,18,21,23(31),24,26,28,32-pentadecaene-30,9'-fluorene].

Molecular Properties

• Compound Name: 7,7-diphenyl-20-(2,4,6-trimethylphenyl)spiro[14,20-diaza-7-sila-1-boranonacyclo[17.14.1.12,6.08,13.015,34.021,33.023,31.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15(34),16,18,21,23(31),24,26,28,32-pentadecaene-30,9'-fluorene]
• PubChem CID: 155645458
• Molecular Formula: C64H45BN2Si
• Molecular Weight: 880.98 g/mol
• Exact Mass: 880.34
• IUPAC Name: 7,7-diphenyl-20-(2,4,6-trimethylphenyl)spiro[14,20-diaza-7-sila-1-boranonacyclo[17.14.1.12,6.08,13.015,34.021,33.023,31.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15(34),16,18,21,23(31),24,26,28,32-pentadecaene-30,9'-fluorene]
• SMILES: Cc1cc(C)c(N2c3cc4c(cc3B3c5cccc6c5N(c5ccccc5[Si]6(c5ccccc5)c5ccccc5)c5cccc2c53)C2(c3ccccc3-c3ccccc32)c2ccccc2-4)c(C)c1
• InChI: InChI=1S/C64H45BN2Si/c1-40-36-41(2)62(42(3)37-40)67-57-33-19-32-56-61(57)65(53-30-18-35-60-63(53)66(56)55-31-16-17-34-59(55)68(60,43-20-6-4-7-21-43)44-22-8-5-9-23-44)54-39-52-48(38-58(54)67)47-26-12-15-29-51(47)64(52)49-27-13-10-24-45(49)46-25-11-14-28-50(46)64/h4-39H,1-3H3
• InChIKey: XVJDHOCSBBVBKW-UHFFFAOYSA-N
• XLogP: 10.73
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	880.98
LogP ≤ 5	10.73
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 7,7-diphenyl-20-(2,4,6-trimethylphenyl)spiro[14,20-diaza-7-sila-1-boranonacyclo[17.14.1.12,6.08,13.015,34.021,33.023,31.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15(34),16,18,21,23(31),24,26,28,32-pentadecaene-30,9'-fluorene]?

The IUPAC name of 7,7-diphenyl-20-(2,4,6-trimethylphenyl)spiro[14,20-diaza-7-sila-1-boranonacyclo[17.14.1.12,6.08,13.015,34.021,33.023,31.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15(34),16,18,21,23(31),24,26,28,32-pentadecaene-30,9'-fluorene] (CID 155645458) is 7,7-diphenyl-20-(2,4,6-trimethylphenyl)spiro[14,20-diaza-7-sila-1-boranonacyclo[17.14.1.12,6.08,13.015,34.021,33.023,31.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15(34),16,18,21,23(31),24,26,28,32-pentadecaene-30,9'-fluorene].

What is the SMILES notation for 7,7-diphenyl-20-(2,4,6-trimethylphenyl)spiro[14,20-diaza-7-sila-1-boranonacyclo[17.14.1.12,6.08,13.015,34.021,33.023,31.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15(34),16,18,21,23(31),24,26,28,32-pentadecaene-30,9'-fluorene]?

The canonical SMILES for 7,7-diphenyl-20-(2,4,6-trimethylphenyl)spiro[14,20-diaza-7-sila-1-boranonacyclo[17.14.1.12,6.08,13.015,34.021,33.023,31.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15(34),16,18,21,23(31),24,26,28,32-pentadecaene-30,9'-fluorene] is Cc1cc(C)c(N2c3cc4c(cc3B3c5cccc6c5N(c5ccccc5[Si]6(c5ccccc5)c5ccccc5)c5cccc2c53)C2(c3ccccc3-c3ccccc32)c2ccccc2-4)c(C)c1.

What is the InChIKey of 7,7-diphenyl-20-(2,4,6-trimethylphenyl)spiro[14,20-diaza-7-sila-1-boranonacyclo[17.14.1.12,6.08,13.015,34.021,33.023,31.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15(34),16,18,21,23(31),24,26,28,32-pentadecaene-30,9'-fluorene]?

The InChIKey is XVJDHOCSBBVBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H45BN2Si/c1-40-36-41(2)62(42(3)37-40)67-57-33-19-32-56-61(57)65(53-30-18-35-60-63(53)66(56)55-31-16-17-34-59(55)68(60,43-20-6-4-7-21-43)44-22-8-5-9-23-44)54-39-52-48(38-58(54)67)47-26-12-15-29-51(47)64(52)49-27-13-10-24-45(49)46-25-11-14-28-50(46)64/h4-39H,1-3H3.

What are the key properties of 7,7-diphenyl-20-(2,4,6-trimethylphenyl)spiro[14,20-diaza-7-sila-1-boranonacyclo[17.14.1.12,6.08,13.015,34.021,33.023,31.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15(34),16,18,21,23(31),24,26,28,32-pentadecaene-30,9'-fluorene]?

7,7-diphenyl-20-(2,4,6-trimethylphenyl)spiro[14,20-diaza-7-sila-1-boranonacyclo[17.14.1.12,6.08,13.015,34.021,33.023,31.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15(34),16,18,21,23(31),24,26,28,32-pentadecaene-30,9'-fluorene] has a molecular weight of 880.98 g/mol, XLogP of 10.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7,7-diphenyl-20-(2,4,6-trimethylphenyl)spiro[14,20-diaza-7-sila-1-boranonacyclo[17.14.1.12,6.08,13.015,34.021,33.023,31.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15(34),16,18,21,23(31),24,26,28,32-pentadecaene-30,9'-fluorene] is sourced from PubChem (CID 155645458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).