N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-6,6-dimethyl-N,15,21-triphenylspiro[15,21-diaza-6-sila-1-boranonacyclo[18.14.1.02,14.05,13.07,12.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5(13),7,9,11,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene-30,9'-fluorene]-18-amine

C77H56BN3Si2 — CID 155625386

About N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-6,6-dimethyl-N,15,21-triphenylspiro[15,21-diaza-6-sila-1-boranonacyclo[18.14.1.02,14.05,13.07,12.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5(13),7,9,11,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene-30,9'-fluorene]-18-amine

N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-6,6-dimethyl-N,15,21-triphenylspiro[15,21-diaza-6-sila-1-boranonacyclo[18.14.1.02,14.05,13.07,12.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5(13),7,9,11,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene-30,9'-fluorene]-18-amine (PubChem CID 155625386) has the molecular formula C77H56BN3Si2 and a molecular weight of 1090.30 g/mol. Its IUPAC name is N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-6,6-dimethyl-N,15,21-triphenylspiro[15,21-diaza-6-sila-1-boranonacyclo[18.14.1.02,14.05,13.07,12.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5(13),7,9,11,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene-30,9'-fluorene]-18-amine.

Molecular Properties

• Compound Name: N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-6,6-dimethyl-N,15,21-triphenylspiro[15,21-diaza-6-sila-1-boranonacyclo[18.14.1.02,14.05,13.07,12.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5(13),7,9,11,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene-30,9'-fluorene]-18-amine
• PubChem CID: 155625386
• Molecular Formula: C77H56BN3Si2
• Molecular Weight: 1090.30 g/mol
• Exact Mass: 1089.41
• IUPAC Name: N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-6,6-dimethyl-N,15,21-triphenylspiro[15,21-diaza-6-sila-1-boranonacyclo[18.14.1.02,14.05,13.07,12.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5(13),7,9,11,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene-30,9'-fluorene]-18-amine
• SMILES: C[Si]1(C)c2ccccc2-c2c(N(c3ccccc3)c3cc4c5c(c3)N(c3ccccc3)c3c(ccc6c3-c3ccccc3[Si]6(C)C)B5c3ccc5c(c3N4c3ccccc3)-c3ccccc3C53c4ccccc4-c4ccccc43)cccc21
• InChI: InChI=1S/C77H56BN3Si2/c1-82(2)67-40-22-17-34-56(67)72-64(39-24-42-69(72)82)79(49-25-8-5-9-26-49)52-47-65-74-66(48-52)81(51-29-12-7-13-30-51)76-63(45-46-70-73(76)57-35-18-23-41-68(57)83(70,3)4)78(74)62-44-43-61-71(75(62)80(65)50-27-10-6-11-28-50)55-33-16-21-38-60(55)77(61)58-36-19-14-31-53(58)54-32-15-20-37-59(54)77/h5-48H,1-4H3
• InChIKey: DGEIQLWWLNNTRH-UHFFFAOYSA-N
• XLogP: 15.19
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1090.30
LogP ≤ 5	15.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-6,6-dimethyl-N,15,21-triphenylspiro[15,21-diaza-6-sila-1-boranonacyclo[18.14.1.02,14.05,13.07,12.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5(13),7,9,11,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene-30,9'-fluorene]-18-amine?

The IUPAC name of N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-6,6-dimethyl-N,15,21-triphenylspiro[15,21-diaza-6-sila-1-boranonacyclo[18.14.1.02,14.05,13.07,12.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5(13),7,9,11,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene-30,9'-fluorene]-18-amine (CID 155625386) is N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-6,6-dimethyl-N,15,21-triphenylspiro[15,21-diaza-6-sila-1-boranonacyclo[18.14.1.02,14.05,13.07,12.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5(13),7,9,11,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene-30,9'-fluorene]-18-amine.

What is the SMILES notation for N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-6,6-dimethyl-N,15,21-triphenylspiro[15,21-diaza-6-sila-1-boranonacyclo[18.14.1.02,14.05,13.07,12.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5(13),7,9,11,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene-30,9'-fluorene]-18-amine?

The canonical SMILES for N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-6,6-dimethyl-N,15,21-triphenylspiro[15,21-diaza-6-sila-1-boranonacyclo[18.14.1.02,14.05,13.07,12.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5(13),7,9,11,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene-30,9'-fluorene]-18-amine is C[Si]1(C)c2ccccc2-c2c(N(c3ccccc3)c3cc4c5c(c3)N(c3ccccc3)c3c(ccc6c3-c3ccccc3[Si]6(C)C)B5c3ccc5c(c3N4c3ccccc3)-c3ccccc3C53c4ccccc4-c4ccccc43)cccc21.

What is the InChIKey of N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-6,6-dimethyl-N,15,21-triphenylspiro[15,21-diaza-6-sila-1-boranonacyclo[18.14.1.02,14.05,13.07,12.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5(13),7,9,11,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene-30,9'-fluorene]-18-amine?

The InChIKey is DGEIQLWWLNNTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H56BN3Si2/c1-82(2)67-40-22-17-34-56(67)72-64(39-24-42-69(72)82)79(49-25-8-5-9-26-49)52-47-65-74-66(48-52)81(51-29-12-7-13-30-51)76-63(45-46-70-73(76)57-35-18-23-41-68(57)83(70,3)4)78(74)62-44-43-61-71(75(62)80(65)50-27-10-6-11-28-50)55-33-16-21-38-60(55)77(61)58-36-19-14-31-53(58)54-32-15-20-37-59(54)77/h5-48H,1-4H3.

What are the key properties of N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-6,6-dimethyl-N,15,21-triphenylspiro[15,21-diaza-6-sila-1-boranonacyclo[18.14.1.02,14.05,13.07,12.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5(13),7,9,11,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene-30,9'-fluorene]-18-amine?

N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-6,6-dimethyl-N,15,21-triphenylspiro[15,21-diaza-6-sila-1-boranonacyclo[18.14.1.02,14.05,13.07,12.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5(13),7,9,11,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene-30,9'-fluorene]-18-amine has a molecular weight of 1090.30 g/mol, XLogP of 15.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-6,6-dimethyl-N,15,21-triphenylspiro[15,21-diaza-6-sila-1-boranonacyclo[18.14.1.02,14.05,13.07,12.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5(13),7,9,11,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene-30,9'-fluorene]-18-amine is sourced from PubChem (CID 155625386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).