4,9,23,28-tetratert-butyl-16-carbazol-9-yl-15-N,15-N,17-N,17-N-tetraphenyl-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-pentadecaene-15,17-diamine

C82H74B2N4 — CID 174137192

About 4,9,23,28-tetratert-butyl-16-carbazol-9-yl-15-N,15-N,17-N,17-N-tetraphenyl-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-pentadecaene-15,17-diamine

4,9,23,28-tetratert-butyl-16-carbazol-9-yl-15-N,15-N,17-N,17-N-tetraphenyl-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-pentadecaene-15,17-diamine (PubChem CID 174137192) has the molecular formula C82H74B2N4 and a molecular weight of 1137.15 g/mol. Its IUPAC name is 4,9,23,28-tetratert-butyl-16-carbazol-9-yl-15-N,15-N,17-N,17-N-tetraphenyl-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-pentadecaene-15,17-diamine.

Molecular Properties

• Compound Name: 4,9,23,28-tetratert-butyl-16-carbazol-9-yl-15-N,15-N,17-N,17-N-tetraphenyl-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-pentadecaene-15,17-diamine
• PubChem CID: 174137192
• Molecular Formula: C82H74B2N4
• Molecular Weight: 1137.15 g/mol
• Exact Mass: 1136.61
• IUPAC Name: 4,9,23,28-tetratert-butyl-16-carbazol-9-yl-15-N,15-N,17-N,17-N-tetraphenyl-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-pentadecaene-15,17-diamine
• SMILES: CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)cc3c1B2c1c2c(c(N(c4ccccc4)c4ccccc4)c(-n4c5ccccc5c5ccccc54)c1N(c1ccccc1)c1ccccc1)B1c4ccc(C(C)(C)C)cc4-c4cc(C(C)(C)C)cc(c41)N32
• InChI: InChI=1S/C82H74B2N4/c1-79(2,3)51-41-43-65-61(45-51)63-47-53(81(7,8)9)49-69-71(63)83(65)73-75-74(84-66-44-42-52(80(4,5)6)46-62(66)64-48-54(82(10,11)12)50-70(72(64)84)88(69)75)77(86(57-33-21-15-22-34-57)58-35-23-16-24-36-58)78(87-67-39-27-25-37-59(67)60-38-26-28-40-68(60)87)76(73)85(55-29-17-13-18-30-55)56-31-19-14-20-32-56/h13-50H,1-12H3
• InChIKey: VNLBNZFJMHULFJ-UHFFFAOYSA-N
• XLogP: 18.00
• TPSA: 14.65 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1137.15
LogP ≤ 5	18.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-16-carbazol-9-yl-15-N,15-N,17-N,17-N-tetraphenyl-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-pentadecaene-15,17-diamine?

The IUPAC name of 4,9,23,28-tetratert-butyl-16-carbazol-9-yl-15-N,15-N,17-N,17-N-tetraphenyl-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-pentadecaene-15,17-diamine (CID 174137192) is 4,9,23,28-tetratert-butyl-16-carbazol-9-yl-15-N,15-N,17-N,17-N-tetraphenyl-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-pentadecaene-15,17-diamine.

What is the SMILES notation for 4,9,23,28-tetratert-butyl-16-carbazol-9-yl-15-N,15-N,17-N,17-N-tetraphenyl-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-pentadecaene-15,17-diamine?

The canonical SMILES for 4,9,23,28-tetratert-butyl-16-carbazol-9-yl-15-N,15-N,17-N,17-N-tetraphenyl-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-pentadecaene-15,17-diamine is CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)cc3c1B2c1c2c(c(N(c4ccccc4)c4ccccc4)c(-n4c5ccccc5c5ccccc54)c1N(c1ccccc1)c1ccccc1)B1c4ccc(C(C)(C)C)cc4-c4cc(C(C)(C)C)cc(c41)N32.

What is the InChIKey of 4,9,23,28-tetratert-butyl-16-carbazol-9-yl-15-N,15-N,17-N,17-N-tetraphenyl-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-pentadecaene-15,17-diamine?

The InChIKey is VNLBNZFJMHULFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H74B2N4/c1-79(2,3)51-41-43-65-61(45-51)63-47-53(81(7,8)9)49-69-71(63)83(65)73-75-74(84-66-44-42-52(80(4,5)6)46-62(66)64-48-54(82(10,11)12)50-70(72(64)84)88(69)75)77(86(57-33-21-15-22-34-57)58-35-23-16-24-36-58)78(87-67-39-27-25-37-59(67)60-38-26-28-40-68(60)87)76(73)85(55-29-17-13-18-30-55)56-31-19-14-20-32-56/h13-50H,1-12H3.

What are the key properties of 4,9,23,28-tetratert-butyl-16-carbazol-9-yl-15-N,15-N,17-N,17-N-tetraphenyl-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-pentadecaene-15,17-diamine?

4,9,23,28-tetratert-butyl-16-carbazol-9-yl-15-N,15-N,17-N,17-N-tetraphenyl-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-pentadecaene-15,17-diamine has a molecular weight of 1137.15 g/mol, XLogP of 18.00, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4,9,23,28-tetratert-butyl-16-carbazol-9-yl-15-N,15-N,17-N,17-N-tetraphenyl-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-pentadecaene-15,17-diamine is sourced from PubChem (CID 174137192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).