4,9,23,28-tetratert-butyl-15-carbazol-9-yl-N,N-diphenyl-1-aza-13,19-diboranonacyclo[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(31),15,17,20(25),21,23,26(32),27,29-pentadecaen-16-amine

C70H65B2N3 — CID 174137194

About 4,9,23,28-tetratert-butyl-15-carbazol-9-yl-N,N-diphenyl-1-aza-13,19-diboranonacyclo[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(31),15,17,20(25),21,23,26(32),27,29-pentadecaen-16-amine

4,9,23,28-tetratert-butyl-15-carbazol-9-yl-N,N-diphenyl-1-aza-13,19-diboranonacyclo[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(31),15,17,20(25),21,23,26(32),27,29-pentadecaen-16-amine (PubChem CID 174137194) has the molecular formula C70H65B2N3 and a molecular weight of 969.93 g/mol. Its IUPAC name is 4,9,23,28-tetratert-butyl-15-carbazol-9-yl-N,N-diphenyl-1-aza-13,19-diboranonacyclo[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(31),15,17,20(25),21,23,26(32),27,29-pentadecaen-16-amine.

Molecular Properties

• Compound Name: 4,9,23,28-tetratert-butyl-15-carbazol-9-yl-N,N-diphenyl-1-aza-13,19-diboranonacyclo[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(31),15,17,20(25),21,23,26(32),27,29-pentadecaen-16-amine
• PubChem CID: 174137194
• Molecular Formula: C70H65B2N3
• Molecular Weight: 969.93 g/mol
• Exact Mass: 969.54
• IUPAC Name: 4,9,23,28-tetratert-butyl-15-carbazol-9-yl-N,N-diphenyl-1-aza-13,19-diboranonacyclo[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(31),15,17,20(25),21,23,26(32),27,29-pentadecaen-16-amine
• SMILES: CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)cc3c1B2c1cc(N(c2ccccc2)c2ccccc2)c(-n2c4ccccc4c4ccccc42)c2c1N3c1cc(C(C)(C)C)cc3c1B2c1ccc(C(C)(C)C)cc1-3
• InChI: InChI=1S/C70H65B2N3/c1-67(2,3)42-31-33-54-50(35-42)52-37-44(69(7,8)9)39-59-62(52)71(54)56-41-61(73(46-23-15-13-16-24-46)47-25-17-14-18-26-47)66(74-57-29-21-19-27-48(57)49-28-20-22-30-58(49)74)64-65(56)75(59)60-40-45(70(10,11)12)38-53-51-36-43(68(4,5)6)32-34-55(51)72(64)63(53)60/h13-41H,1-12H3
• InChIKey: CAFYGWDFXXIRTA-UHFFFAOYSA-N
• XLogP: 14.53
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	969.93
LogP ≤ 5	14.53
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 4,9,23,28-tetratert-butyl-15-carbazol-9-yl-N,N-diphenyl-1-aza-13,19-diboranonacyclo[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(31),15,17,20(25),21,23,26(32),27,29-pentadecaen-16-amine?

The IUPAC name of 4,9,23,28-tetratert-butyl-15-carbazol-9-yl-N,N-diphenyl-1-aza-13,19-diboranonacyclo[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(31),15,17,20(25),21,23,26(32),27,29-pentadecaen-16-amine (CID 174137194) is 4,9,23,28-tetratert-butyl-15-carbazol-9-yl-N,N-diphenyl-1-aza-13,19-diboranonacyclo[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(31),15,17,20(25),21,23,26(32),27,29-pentadecaen-16-amine.

What is the SMILES notation for 4,9,23,28-tetratert-butyl-15-carbazol-9-yl-N,N-diphenyl-1-aza-13,19-diboranonacyclo[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(31),15,17,20(25),21,23,26(32),27,29-pentadecaen-16-amine?

The canonical SMILES for 4,9,23,28-tetratert-butyl-15-carbazol-9-yl-N,N-diphenyl-1-aza-13,19-diboranonacyclo[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(31),15,17,20(25),21,23,26(32),27,29-pentadecaen-16-amine is CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)cc3c1B2c1cc(N(c2ccccc2)c2ccccc2)c(-n2c4ccccc4c4ccccc42)c2c1N3c1cc(C(C)(C)C)cc3c1B2c1ccc(C(C)(C)C)cc1-3.

What is the InChIKey of 4,9,23,28-tetratert-butyl-15-carbazol-9-yl-N,N-diphenyl-1-aza-13,19-diboranonacyclo[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(31),15,17,20(25),21,23,26(32),27,29-pentadecaen-16-amine?

The InChIKey is CAFYGWDFXXIRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H65B2N3/c1-67(2,3)42-31-33-54-50(35-42)52-37-44(69(7,8)9)39-59-62(52)71(54)56-41-61(73(46-23-15-13-16-24-46)47-25-17-14-18-26-47)66(74-57-29-21-19-27-48(57)49-28-20-22-30-58(49)74)64-65(56)75(59)60-40-45(70(10,11)12)38-53-51-36-43(68(4,5)6)32-34-55(51)72(64)63(53)60/h13-41H,1-12H3.

What are the key properties of 4,9,23,28-tetratert-butyl-15-carbazol-9-yl-N,N-diphenyl-1-aza-13,19-diboranonacyclo[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(31),15,17,20(25),21,23,26(32),27,29-pentadecaen-16-amine?

4,9,23,28-tetratert-butyl-15-carbazol-9-yl-N,N-diphenyl-1-aza-13,19-diboranonacyclo[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(31),15,17,20(25),21,23,26(32),27,29-pentadecaen-16-amine has a molecular weight of 969.93 g/mol, XLogP of 14.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4,9,23,28-tetratert-butyl-15-carbazol-9-yl-N,N-diphenyl-1-aza-13,19-diboranonacyclo[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(31),15,17,20(25),21,23,26(32),27,29-pentadecaen-16-amine is sourced from PubChem (CID 174137194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).