4,9,23,28-tetratert-butyl-15-carbazol-9-yl-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),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene

C58H56B2N2 — CID 174137140

About 4,9,23,28-tetratert-butyl-15-carbazol-9-yl-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),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene

4,9,23,28-tetratert-butyl-15-carbazol-9-yl-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),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene (PubChem CID 174137140) has the molecular formula C58H56B2N2 and a molecular weight of 802.72 g/mol. Its IUPAC name is 4,9,23,28-tetratert-butyl-15-carbazol-9-yl-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),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene.

Molecular Properties

• Compound Name: 4,9,23,28-tetratert-butyl-15-carbazol-9-yl-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),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene
• PubChem CID: 174137140
• Molecular Formula: C58H56B2N2
• Molecular Weight: 802.72 g/mol
• Exact Mass: 802.46
• IUPAC Name: 4,9,23,28-tetratert-butyl-15-carbazol-9-yl-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),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene
• SMILES: CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)cc3c1B2c1ccc(-n2c4ccccc4c4ccccc42)c2c1N3c1cc(C(C)(C)C)cc3c1B2c1ccc(C(C)(C)C)cc1-3
• InChI: InChI=1S/C58H56B2N2/c1-55(2,3)33-21-23-43-39(27-33)41-29-35(57(7,8)9)31-49-51(41)59(43)45-25-26-48(61-46-19-15-13-17-37(46)38-18-14-16-20-47(38)61)53-54(45)62(49)50-32-36(58(10,11)12)30-42-40-28-34(56(4,5)6)22-24-44(40)60(53)52(42)50/h13-32H,1-12H3
• InChIKey: ZOELELVPXCIDMN-UHFFFAOYSA-N
• XLogP: 11.06
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	802.72
LogP ≤ 5	11.06
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-carbazol-9-yl-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),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene?

The IUPAC name of 4,9,23,28-tetratert-butyl-15-carbazol-9-yl-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),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene (CID 174137140) is 4,9,23,28-tetratert-butyl-15-carbazol-9-yl-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),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene.

What is the SMILES notation for 4,9,23,28-tetratert-butyl-15-carbazol-9-yl-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),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene?

The canonical SMILES for 4,9,23,28-tetratert-butyl-15-carbazol-9-yl-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),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene is CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)cc3c1B2c1ccc(-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-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),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene?

The InChIKey is ZOELELVPXCIDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H56B2N2/c1-55(2,3)33-21-23-43-39(27-33)41-29-35(57(7,8)9)31-49-51(41)59(43)45-25-26-48(61-46-19-15-13-17-37(46)38-18-14-16-20-47(38)61)53-54(45)62(49)50-32-36(58(10,11)12)30-42-40-28-34(56(4,5)6)22-24-44(40)60(53)52(42)50/h13-32H,1-12H3.

What are the key properties of 4,9,23,28-tetratert-butyl-15-carbazol-9-yl-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),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene?

4,9,23,28-tetratert-butyl-15-carbazol-9-yl-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),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene has a molecular weight of 802.72 g/mol, XLogP of 11.06, 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-carbazol-9-yl-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),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene is sourced from PubChem (CID 174137140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).