23,30-ditert-butyl-19-(3,5-diphenylphenyl)-N,N-diphenyl-2,19-diaza-1-boranonacyclo[16.15.1.12,9.03,8.014,34.020,33.022,31.024,29.013,35]pentatriaconta-3,5,7,9(35),10,12,14(34),15,17,20,22,24,26,28,30,32-hexadecaen-16-amine

C70H56BN3 — CID 168776151

About 23,30-ditert-butyl-19-(3,5-diphenylphenyl)-N,N-diphenyl-2,19-diaza-1-boranonacyclo[16.15.1.12,9.03,8.014,34.020,33.022,31.024,29.013,35]pentatriaconta-3,5,7,9(35),10,12,14(34),15,17,20,22,24,26,28,30,32-hexadecaen-16-amine

23,30-ditert-butyl-19-(3,5-diphenylphenyl)-N,N-diphenyl-2,19-diaza-1-boranonacyclo[16.15.1.12,9.03,8.014,34.020,33.022,31.024,29.013,35]pentatriaconta-3,5,7,9(35),10,12,14(34),15,17,20,22,24,26,28,30,32-hexadecaen-16-amine (PubChem CID 168776151) has the molecular formula C70H56BN3 and a molecular weight of 950.05 g/mol. Its IUPAC name is 23,30-ditert-butyl-19-(3,5-diphenylphenyl)-N,N-diphenyl-2,19-diaza-1-boranonacyclo[16.15.1.12,9.03,8.014,34.020,33.022,31.024,29.013,35]pentatriaconta-3,5,7,9(35),10,12,14(34),15,17,20,22,24,26,28,30,32-hexadecaen-16-amine.

Molecular Properties

• Compound Name: 23,30-ditert-butyl-19-(3,5-diphenylphenyl)-N,N-diphenyl-2,19-diaza-1-boranonacyclo[16.15.1.12,9.03,8.014,34.020,33.022,31.024,29.013,35]pentatriaconta-3,5,7,9(35),10,12,14(34),15,17,20,22,24,26,28,30,32-hexadecaen-16-amine
• PubChem CID: 168776151
• Molecular Formula: C70H56BN3
• Molecular Weight: 950.05 g/mol
• Exact Mass: 949.46
• IUPAC Name: 23,30-ditert-butyl-19-(3,5-diphenylphenyl)-N,N-diphenyl-2,19-diaza-1-boranonacyclo[16.15.1.12,9.03,8.014,34.020,33.022,31.024,29.013,35]pentatriaconta-3,5,7,9(35),10,12,14(34),15,17,20,22,24,26,28,30,32-hexadecaen-16-amine
• SMILES: CC(C)(C)c1c2ccccc2c(C(C)(C)C)c2cc3c(cc12)B1c2c(cc(N(c4ccccc4)c4ccccc4)cc2N3c2cc(-c3ccccc3)cc(-c3ccccc3)c2)-c2cccc3c4ccccc4n1c23
• InChI: InChI=1S/C70H56BN3/c1-69(2,3)65-54-33-19-20-34-55(54)66(70(4,5)6)59-44-63-61(43-58(59)65)71-67-60(57-36-23-35-56-53-32-21-22-37-62(53)74(71)68(56)57)41-52(72(49-28-15-9-16-29-49)50-30-17-10-18-31-50)42-64(67)73(63)51-39-47(45-24-11-7-12-25-45)38-48(40-51)46-26-13-8-14-27-46/h7-44H,1-6H3
• InChIKey: SXUIWOSIFFZKDU-UHFFFAOYSA-N
• XLogP: 17.92
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	950.05
LogP ≤ 5	17.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 23,30-ditert-butyl-19-(3,5-diphenylphenyl)-N,N-diphenyl-2,19-diaza-1-boranonacyclo[16.15.1.12,9.03,8.014,34.020,33.022,31.024,29.013,35]pentatriaconta-3,5,7,9(35),10,12,14(34),15,17,20,22,24,26,28,30,32-hexadecaen-16-amine?

The IUPAC name of 23,30-ditert-butyl-19-(3,5-diphenylphenyl)-N,N-diphenyl-2,19-diaza-1-boranonacyclo[16.15.1.12,9.03,8.014,34.020,33.022,31.024,29.013,35]pentatriaconta-3,5,7,9(35),10,12,14(34),15,17,20,22,24,26,28,30,32-hexadecaen-16-amine (CID 168776151) is 23,30-ditert-butyl-19-(3,5-diphenylphenyl)-N,N-diphenyl-2,19-diaza-1-boranonacyclo[16.15.1.12,9.03,8.014,34.020,33.022,31.024,29.013,35]pentatriaconta-3,5,7,9(35),10,12,14(34),15,17,20,22,24,26,28,30,32-hexadecaen-16-amine.

What is the SMILES notation for 23,30-ditert-butyl-19-(3,5-diphenylphenyl)-N,N-diphenyl-2,19-diaza-1-boranonacyclo[16.15.1.12,9.03,8.014,34.020,33.022,31.024,29.013,35]pentatriaconta-3,5,7,9(35),10,12,14(34),15,17,20,22,24,26,28,30,32-hexadecaen-16-amine?

The canonical SMILES for 23,30-ditert-butyl-19-(3,5-diphenylphenyl)-N,N-diphenyl-2,19-diaza-1-boranonacyclo[16.15.1.12,9.03,8.014,34.020,33.022,31.024,29.013,35]pentatriaconta-3,5,7,9(35),10,12,14(34),15,17,20,22,24,26,28,30,32-hexadecaen-16-amine is CC(C)(C)c1c2ccccc2c(C(C)(C)C)c2cc3c(cc12)B1c2c(cc(N(c4ccccc4)c4ccccc4)cc2N3c2cc(-c3ccccc3)cc(-c3ccccc3)c2)-c2cccc3c4ccccc4n1c23.

What is the InChIKey of 23,30-ditert-butyl-19-(3,5-diphenylphenyl)-N,N-diphenyl-2,19-diaza-1-boranonacyclo[16.15.1.12,9.03,8.014,34.020,33.022,31.024,29.013,35]pentatriaconta-3,5,7,9(35),10,12,14(34),15,17,20,22,24,26,28,30,32-hexadecaen-16-amine?

The InChIKey is SXUIWOSIFFZKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H56BN3/c1-69(2,3)65-54-33-19-20-34-55(54)66(70(4,5)6)59-44-63-61(43-58(59)65)71-67-60(57-36-23-35-56-53-32-21-22-37-62(53)74(71)68(56)57)41-52(72(49-28-15-9-16-29-49)50-30-17-10-18-31-50)42-64(67)73(63)51-39-47(45-24-11-7-12-25-45)38-48(40-51)46-26-13-8-14-27-46/h7-44H,1-6H3.

What are the key properties of 23,30-ditert-butyl-19-(3,5-diphenylphenyl)-N,N-diphenyl-2,19-diaza-1-boranonacyclo[16.15.1.12,9.03,8.014,34.020,33.022,31.024,29.013,35]pentatriaconta-3,5,7,9(35),10,12,14(34),15,17,20,22,24,26,28,30,32-hexadecaen-16-amine?

23,30-ditert-butyl-19-(3,5-diphenylphenyl)-N,N-diphenyl-2,19-diaza-1-boranonacyclo[16.15.1.12,9.03,8.014,34.020,33.022,31.024,29.013,35]pentatriaconta-3,5,7,9(35),10,12,14(34),15,17,20,22,24,26,28,30,32-hexadecaen-16-amine has a molecular weight of 950.05 g/mol, XLogP of 17.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 23,30-ditert-butyl-19-(3,5-diphenylphenyl)-N,N-diphenyl-2,19-diaza-1-boranonacyclo[16.15.1.12,9.03,8.014,34.020,33.022,31.024,29.013,35]pentatriaconta-3,5,7,9(35),10,12,14(34),15,17,20,22,24,26,28,30,32-hexadecaen-16-amine is sourced from PubChem (CID 168776151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).