9,23-ditert-butyl-16-(2,7-ditert-butylcarbazol-9-yl)-4,28-bis[2-(3-phenylphenyl)phenyl]-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;9,23-ditert-butyl-16-(2,7-ditert-butylcarbazol-9-yl)-4,28-bis[2-(4-phenylphenyl)phenyl]-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

C188H160B2N6 — CID 157179691

About 9,23-ditert-butyl-16-(2,7-ditert-butylcarbazol-9-yl)-4,28-bis[2-(3-phenylphenyl)phenyl]-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;9,23-ditert-butyl-16-(2,7-ditert-butylcarbazol-9-yl)-4,28-bis[2-(4-phenylphenyl)phenyl]-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

9,23-ditert-butyl-16-(2,7-ditert-butylcarbazol-9-yl)-4,28-bis[2-(3-phenylphenyl)phenyl]-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;9,23-ditert-butyl-16-(2,7-ditert-butylcarbazol-9-yl)-4,28-bis[2-(4-phenylphenyl)phenyl]-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 157179691) has the molecular formula C188H160B2N6 and a molecular weight of 2525.01 g/mol. Its IUPAC name is 9,23-ditert-butyl-16-(2,7-ditert-butylcarbazol-9-yl)-4,28-bis[2-(3-phenylphenyl)phenyl]-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;9,23-ditert-butyl-16-(2,7-ditert-butylcarbazol-9-yl)-4,28-bis[2-(4-phenylphenyl)phenyl]-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: 9,23-ditert-butyl-16-(2,7-ditert-butylcarbazol-9-yl)-4,28-bis[2-(3-phenylphenyl)phenyl]-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;9,23-ditert-butyl-16-(2,7-ditert-butylcarbazol-9-yl)-4,28-bis[2-(4-phenylphenyl)phenyl]-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: 157179691
• Molecular Formula: C188H160B2N6
• Molecular Weight: 2525.01 g/mol
• Exact Mass: 2523.29
• IUPAC Name: 9,23-ditert-butyl-16-(2,7-ditert-butylcarbazol-9-yl)-4,28-bis[2-(3-phenylphenyl)phenyl]-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;9,23-ditert-butyl-16-(2,7-ditert-butylcarbazol-9-yl)-4,28-bis[2-(4-phenylphenyl)phenyl]-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(-c3ccccc3-c3ccc(-c4ccccc4)cc3)cc3c1n2-c1cc(-n2c4cc(C(C)(C)C)ccc4c4ccc(C(C)(C)C)cc42)cc2c1B3c1cc(-c3ccccc3-c3ccc(-c4ccccc4)cc3)cc3c4cc(C(C)(C)C)ccc4n-2c13.CC(C)(C)c1ccc2c(c1)c1cc(-c3ccccc3-c3cccc(-c4ccccc4)c3)cc3c1n2-c1cc(-n2c4cc(C(C)(C)C)ccc4c4ccc(C(C)(C)C)cc42)cc2c1B3c1cc(-c3ccccc3-c3cccc(-c4ccccc4)c3)cc3c4cc(C(C)(C)C)ccc4n-2c13
• InChI: InChI=1S/2C94H80BN3/c1-91(2,3)65-39-43-82-76(51-65)78-47-63(72-35-21-19-33-70(72)61-31-23-29-59(45-61)57-25-15-13-16-26-57)49-80-89(78)97(82)86-55-69(96-84-53-67(93(7,8)9)37-41-74(84)75-42-38-68(54-85(75)96)94(10,11)12)56-87-88(86)95(80)81-50-64(48-79-77-52-66(92(4,5)6)40-44-83(77)98(87)90(79)81)73-36-22-20-34-71(73)62-32-24-30-60(46-62)58-27-17-14-18-28-58;1-91(2,3)65-41-45-82-76(51-65)78-47-63(72-29-21-19-27-70(72)61-35-31-59(32-36-61)57-23-15-13-16-24-57)49-80-89(78)97(82)86-55-69(96-84-53-67(93(7,8)9)39-43-74(84)75-44-40-68(54-85(75)96)94(10,11)12)56-87-88(86)95(80)81-50-64(48-79-77-52-66(92(4,5)6)42-46-83(77)98(87)90(79)81)73-30-22-20-28-71(73)62-37-33-60(34-38-62)58-25-17-14-18-26-58/h2*13-56H,1-12H3
• InChIKey: AOKRGXUCKYUOFH-UHFFFAOYSA-N
• XLogP: 46.63
• TPSA: 29.58 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2525.01
LogP ≤ 5	46.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9,23-ditert-butyl-16-(2,7-ditert-butylcarbazol-9-yl)-4,28-bis[2-(3-phenylphenyl)phenyl]-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;9,23-ditert-butyl-16-(2,7-ditert-butylcarbazol-9-yl)-4,28-bis[2-(4-phenylphenyl)phenyl]-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 9,23-ditert-butyl-16-(2,7-ditert-butylcarbazol-9-yl)-4,28-bis[2-(3-phenylphenyl)phenyl]-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;9,23-ditert-butyl-16-(2,7-ditert-butylcarbazol-9-yl)-4,28-bis[2-(4-phenylphenyl)phenyl]-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 157179691) is 9,23-ditert-butyl-16-(2,7-ditert-butylcarbazol-9-yl)-4,28-bis[2-(3-phenylphenyl)phenyl]-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;9,23-ditert-butyl-16-(2,7-ditert-butylcarbazol-9-yl)-4,28-bis[2-(4-phenylphenyl)phenyl]-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 9,23-ditert-butyl-16-(2,7-ditert-butylcarbazol-9-yl)-4,28-bis[2-(3-phenylphenyl)phenyl]-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;9,23-ditert-butyl-16-(2,7-ditert-butylcarbazol-9-yl)-4,28-bis[2-(4-phenylphenyl)phenyl]-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 9,23-ditert-butyl-16-(2,7-ditert-butylcarbazol-9-yl)-4,28-bis[2-(3-phenylphenyl)phenyl]-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;9,23-ditert-butyl-16-(2,7-ditert-butylcarbazol-9-yl)-4,28-bis[2-(4-phenylphenyl)phenyl]-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(-c3ccccc3-c3ccc(-c4ccccc4)cc3)cc3c1n2-c1cc(-n2c4cc(C(C)(C)C)ccc4c4ccc(C(C)(C)C)cc42)cc2c1B3c1cc(-c3ccccc3-c3ccc(-c4ccccc4)cc3)cc3c4cc(C(C)(C)C)ccc4n-2c13.CC(C)(C)c1ccc2c(c1)c1cc(-c3ccccc3-c3cccc(-c4ccccc4)c3)cc3c1n2-c1cc(-n2c4cc(C(C)(C)C)ccc4c4ccc(C(C)(C)C)cc42)cc2c1B3c1cc(-c3ccccc3-c3cccc(-c4ccccc4)c3)cc3c4cc(C(C)(C)C)ccc4n-2c13.

What is the InChIKey of 9,23-ditert-butyl-16-(2,7-ditert-butylcarbazol-9-yl)-4,28-bis[2-(3-phenylphenyl)phenyl]-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;9,23-ditert-butyl-16-(2,7-ditert-butylcarbazol-9-yl)-4,28-bis[2-(4-phenylphenyl)phenyl]-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 AOKRGXUCKYUOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C94H80BN3/c1-91(2,3)65-39-43-82-76(51-65)78-47-63(72-35-21-19-33-70(72)61-31-23-29-59(45-61)57-25-15-13-16-26-57)49-80-89(78)97(82)86-55-69(96-84-53-67(93(7,8)9)37-41-74(84)75-42-38-68(54-85(75)96)94(10,11)12)56-87-88(86)95(80)81-50-64(48-79-77-52-66(92(4,5)6)40-44-83(77)98(87)90(79)81)73-36-22-20-34-71(73)62-32-24-30-60(46-62)58-27-17-14-18-28-58;1-91(2,3)65-41-45-82-76(51-65)78-47-63(72-29-21-19-27-70(72)61-35-31-59(32-36-61)57-23-15-13-16-24-57)49-80-89(78)97(82)86-55-69(96-84-53-67(93(7,8)9)39-43-74(84)75-44-40-68(54-85(75)96)94(10,11)12)56-87-88(86)95(80)81-50-64(48-79-77-52-66(92(4,5)6)42-46-83(77)98(87)90(79)81)73-30-22-20-28-71(73)62-37-33-60(34-38-62)58-25-17-14-18-26-58/h2*13-56H,1-12H3.

What are the key properties of 9,23-ditert-butyl-16-(2,7-ditert-butylcarbazol-9-yl)-4,28-bis[2-(3-phenylphenyl)phenyl]-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;9,23-ditert-butyl-16-(2,7-ditert-butylcarbazol-9-yl)-4,28-bis[2-(4-phenylphenyl)phenyl]-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?

9,23-ditert-butyl-16-(2,7-ditert-butylcarbazol-9-yl)-4,28-bis[2-(3-phenylphenyl)phenyl]-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;9,23-ditert-butyl-16-(2,7-ditert-butylcarbazol-9-yl)-4,28-bis[2-(4-phenylphenyl)phenyl]-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 2525.01 g/mol, XLogP of 46.63, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9,23-ditert-butyl-16-(2,7-ditert-butylcarbazol-9-yl)-4,28-bis[2-(3-phenylphenyl)phenyl]-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;9,23-ditert-butyl-16-(2,7-ditert-butylcarbazol-9-yl)-4,28-bis[2-(4-phenylphenyl)phenyl]-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 157179691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).