4,9,23,28-tetratert-butyl-15-(9,9'-spirobi[fluorene]-2-yl)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7(12),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene

C71H63BN2 — CID 171599820

About 4,9,23,28-tetratert-butyl-15-(9,9'-spirobi[fluorene]-2-yl)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7(12),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene

4,9,23,28-tetratert-butyl-15-(9,9'-spirobi[fluorene]-2-yl)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7(12),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene (PubChem CID 171599820) has the molecular formula C71H63BN2 and a molecular weight of 955.11 g/mol. Its IUPAC name is 4,9,23,28-tetratert-butyl-15-(9,9'-spirobi[fluorene]-2-yl)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7(12),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene.

Molecular Properties

• Compound Name: 4,9,23,28-tetratert-butyl-15-(9,9'-spirobi[fluorene]-2-yl)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7(12),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene
• PubChem CID: 171599820
• Molecular Formula: C71H63BN2
• Molecular Weight: 955.11 g/mol
• Exact Mass: 954.51
• IUPAC Name: 4,9,23,28-tetratert-butyl-15-(9,9'-spirobi[fluorene]-2-yl)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7(12),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene
• SMILES: CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc3c1n2-c1ccc(-c2ccc4c(c2)C2(c5ccccc5-c5ccccc52)c2ccccc2-4)c2c1B3c1cc(C(C)(C)C)cc3c4cc(C(C)(C)C)ccc4n-2c13
• InChI: InChI=1S/C71H63BN2/c1-67(2,3)41-26-30-60-50(34-41)52-36-43(69(7,8)9)38-58-64(52)73(60)62-32-29-45(66-63(62)72(58)59-39-44(70(10,11)12)37-53-51-35-42(68(4,5)6)27-31-61(51)74(66)65(53)59)40-25-28-49-48-21-15-18-24-56(48)71(57(49)33-40)54-22-16-13-19-46(54)47-20-14-17-23-55(47)71/h13-39H,1-12H3
• InChIKey: IOLSIVCOOSZAMW-UHFFFAOYSA-N
• XLogP: 16.22
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	955.11
LogP ≤ 5	16.22
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 4,9,23,28-tetratert-butyl-15-(9,9'-spirobi[fluorene]-2-yl)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7(12),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene?

The IUPAC name of 4,9,23,28-tetratert-butyl-15-(9,9'-spirobi[fluorene]-2-yl)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7(12),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene (CID 171599820) is 4,9,23,28-tetratert-butyl-15-(9,9'-spirobi[fluorene]-2-yl)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7(12),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene.

What is the SMILES notation for 4,9,23,28-tetratert-butyl-15-(9,9'-spirobi[fluorene]-2-yl)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7(12),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene?

The canonical SMILES for 4,9,23,28-tetratert-butyl-15-(9,9'-spirobi[fluorene]-2-yl)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7(12),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc3c1n2-c1ccc(-c2ccc4c(c2)C2(c5ccccc5-c5ccccc52)c2ccccc2-4)c2c1B3c1cc(C(C)(C)C)cc3c4cc(C(C)(C)C)ccc4n-2c13.

What is the InChIKey of 4,9,23,28-tetratert-butyl-15-(9,9'-spirobi[fluorene]-2-yl)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7(12),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene?

The InChIKey is IOLSIVCOOSZAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H63BN2/c1-67(2,3)41-26-30-60-50(34-41)52-36-43(69(7,8)9)38-58-64(52)73(60)62-32-29-45(66-63(62)72(58)59-39-44(70(10,11)12)37-53-51-35-42(68(4,5)6)27-31-61(51)74(66)65(53)59)40-25-28-49-48-21-15-18-24-56(48)71(57(49)33-40)54-22-16-13-19-46(54)47-20-14-17-23-55(47)71/h13-39H,1-12H3.

What are the key properties of 4,9,23,28-tetratert-butyl-15-(9,9'-spirobi[fluorene]-2-yl)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7(12),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene?

4,9,23,28-tetratert-butyl-15-(9,9'-spirobi[fluorene]-2-yl)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7(12),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene has a molecular weight of 955.11 g/mol, XLogP of 16.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4,9,23,28-tetratert-butyl-15-(9,9'-spirobi[fluorene]-2-yl)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7(12),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene is sourced from PubChem (CID 171599820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).