6,11,23,28-tetratert-butyl-16-(4-tert-butylphenyl)-15-phenyl-2,19-diaza-1-boranonacyclo[16.12.1.12,9.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-3(8),4,6,9(33),10,12,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene

C62H65BN2 — CID 171749677

About 6,11,23,28-tetratert-butyl-16-(4-tert-butylphenyl)-15-phenyl-2,19-diaza-1-boranonacyclo[16.12.1.12,9.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-3(8),4,6,9(33),10,12,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene

6,11,23,28-tetratert-butyl-16-(4-tert-butylphenyl)-15-phenyl-2,19-diaza-1-boranonacyclo[16.12.1.12,9.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-3(8),4,6,9(33),10,12,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene (PubChem CID 171749677) has the molecular formula C62H65BN2 and a molecular weight of 849.03 g/mol. Its IUPAC name is 6,11,23,28-tetratert-butyl-16-(4-tert-butylphenyl)-15-phenyl-2,19-diaza-1-boranonacyclo[16.12.1.12,9.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-3(8),4,6,9(33),10,12,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene.

Molecular Properties

• Compound Name: 6,11,23,28-tetratert-butyl-16-(4-tert-butylphenyl)-15-phenyl-2,19-diaza-1-boranonacyclo[16.12.1.12,9.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-3(8),4,6,9(33),10,12,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene
• PubChem CID: 171749677
• Molecular Formula: C62H65BN2
• Molecular Weight: 849.03 g/mol
• Exact Mass: 848.52
• IUPAC Name: 6,11,23,28-tetratert-butyl-16-(4-tert-butylphenyl)-15-phenyl-2,19-diaza-1-boranonacyclo[16.12.1.12,9.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-3(8),4,6,9(33),10,12,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene
• SMILES: CC(C)(C)c1ccc(-c2cc3c4c(c2-c2ccccc2)-c2cc(C(C)(C)C)cc5c6cc(C(C)(C)C)ccc6n(c25)B4c2cc(C(C)(C)C)cc4c5cc(C(C)(C)C)ccc5n-3c24)cc1
• InChI: InChI=1S/C62H65BN2/c1-58(2,3)38-23-21-36(22-24-38)43-35-52-55-54(53(43)37-19-17-16-18-20-37)48-33-41(61(10,11)12)31-46-45-30-40(60(7,8)9)26-28-51(45)65(56(46)48)63(55)49-34-42(62(13,14)15)32-47-44-29-39(59(4,5)6)25-27-50(44)64(52)57(47)49/h16-35H,1-15H3
• InChIKey: WPHHYEVOIPENSL-UHFFFAOYSA-N
• XLogP: 15.66
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	849.03
LogP ≤ 5	15.66
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 6,11,23,28-tetratert-butyl-16-(4-tert-butylphenyl)-15-phenyl-2,19-diaza-1-boranonacyclo[16.12.1.12,9.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-3(8),4,6,9(33),10,12,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene?

The IUPAC name of 6,11,23,28-tetratert-butyl-16-(4-tert-butylphenyl)-15-phenyl-2,19-diaza-1-boranonacyclo[16.12.1.12,9.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-3(8),4,6,9(33),10,12,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene (CID 171749677) is 6,11,23,28-tetratert-butyl-16-(4-tert-butylphenyl)-15-phenyl-2,19-diaza-1-boranonacyclo[16.12.1.12,9.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-3(8),4,6,9(33),10,12,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene.

What is the SMILES notation for 6,11,23,28-tetratert-butyl-16-(4-tert-butylphenyl)-15-phenyl-2,19-diaza-1-boranonacyclo[16.12.1.12,9.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-3(8),4,6,9(33),10,12,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene?

The canonical SMILES for 6,11,23,28-tetratert-butyl-16-(4-tert-butylphenyl)-15-phenyl-2,19-diaza-1-boranonacyclo[16.12.1.12,9.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-3(8),4,6,9(33),10,12,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene is CC(C)(C)c1ccc(-c2cc3c4c(c2-c2ccccc2)-c2cc(C(C)(C)C)cc5c6cc(C(C)(C)C)ccc6n(c25)B4c2cc(C(C)(C)C)cc4c5cc(C(C)(C)C)ccc5n-3c24)cc1.

What is the InChIKey of 6,11,23,28-tetratert-butyl-16-(4-tert-butylphenyl)-15-phenyl-2,19-diaza-1-boranonacyclo[16.12.1.12,9.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-3(8),4,6,9(33),10,12,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene?

The InChIKey is WPHHYEVOIPENSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H65BN2/c1-58(2,3)38-23-21-36(22-24-38)43-35-52-55-54(53(43)37-19-17-16-18-20-37)48-33-41(61(10,11)12)31-46-45-30-40(60(7,8)9)26-28-51(45)65(56(46)48)63(55)49-34-42(62(13,14)15)32-47-44-29-39(59(4,5)6)25-27-50(44)64(52)57(47)49/h16-35H,1-15H3.

What are the key properties of 6,11,23,28-tetratert-butyl-16-(4-tert-butylphenyl)-15-phenyl-2,19-diaza-1-boranonacyclo[16.12.1.12,9.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-3(8),4,6,9(33),10,12,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene?

6,11,23,28-tetratert-butyl-16-(4-tert-butylphenyl)-15-phenyl-2,19-diaza-1-boranonacyclo[16.12.1.12,9.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-3(8),4,6,9(33),10,12,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene has a molecular weight of 849.03 g/mol, XLogP of 15.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6,11,23,28-tetratert-butyl-16-(4-tert-butylphenyl)-15-phenyl-2,19-diaza-1-boranonacyclo[16.12.1.12,9.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-3(8),4,6,9(33),10,12,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene is sourced from PubChem (CID 171749677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).