N,N,19-tris(4-tert-butylphenyl)-10,10,26,26-tetramethyl-19,33-diaza-20-boranonacyclo[18.13.1.121,25.03,11.04,9.012,34.013,18.027,32.033,35]pentatriaconta-1(34),2,4,6,8,11,13(18),14,16,21(35),22,24,27,29,31-pentadecaen-15-amine

C66H66BN3 — CID 174133134

About N,N,19-tris(4-tert-butylphenyl)-10,10,26,26-tetramethyl-19,33-diaza-20-boranonacyclo[18.13.1.121,25.03,11.04,9.012,34.013,18.027,32.033,35]pentatriaconta-1(34),2,4,6,8,11,13(18),14,16,21(35),22,24,27,29,31-pentadecaen-15-amine

N,N,19-tris(4-tert-butylphenyl)-10,10,26,26-tetramethyl-19,33-diaza-20-boranonacyclo[18.13.1.121,25.03,11.04,9.012,34.013,18.027,32.033,35]pentatriaconta-1(34),2,4,6,8,11,13(18),14,16,21(35),22,24,27,29,31-pentadecaen-15-amine (PubChem CID 174133134) has the molecular formula C66H66BN3 and a molecular weight of 912.09 g/mol. Its IUPAC name is N,N,19-tris(4-tert-butylphenyl)-10,10,26,26-tetramethyl-19,33-diaza-20-boranonacyclo[18.13.1.121,25.03,11.04,9.012,34.013,18.027,32.033,35]pentatriaconta-1(34),2,4,6,8,11,13(18),14,16,21(35),22,24,27,29,31-pentadecaen-15-amine.

Molecular Properties

• Compound Name: N,N,19-tris(4-tert-butylphenyl)-10,10,26,26-tetramethyl-19,33-diaza-20-boranonacyclo[18.13.1.121,25.03,11.04,9.012,34.013,18.027,32.033,35]pentatriaconta-1(34),2,4,6,8,11,13(18),14,16,21(35),22,24,27,29,31-pentadecaen-15-amine
• PubChem CID: 174133134
• Molecular Formula: C66H66BN3
• Molecular Weight: 912.09 g/mol
• Exact Mass: 911.53
• IUPAC Name: N,N,19-tris(4-tert-butylphenyl)-10,10,26,26-tetramethyl-19,33-diaza-20-boranonacyclo[18.13.1.121,25.03,11.04,9.012,34.013,18.027,32.033,35]pentatriaconta-1(34),2,4,6,8,11,13(18),14,16,21(35),22,24,27,29,31-pentadecaen-15-amine
• SMILES: CC(C)(C)c1ccc(N2B3c4cccc5c4N(c4ccccc4C5(C)C)c4cc5c(c(c43)-c3cc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)ccc32)C(C)(C)c2ccccc2-5)cc1
• InChI: InChI=1S/C66H66BN3/c1-62(2,3)41-25-31-44(32-26-41)68(45-33-27-42(28-34-45)63(4,5)6)47-37-38-55-50(39-47)58-59-49(48-19-14-15-20-51(48)66(59,12)13)40-57-60(58)67(70(55)46-35-29-43(30-36-46)64(7,8)9)54-23-18-22-53-61(54)69(57)56-24-17-16-21-52(56)65(53,10)11/h14-40H,1-13H3
• InChIKey: VLXCIBZDBMDZHO-UHFFFAOYSA-N
• XLogP: 16.70
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	912.09
LogP ≤ 5	16.70
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 N,N,19-tris(4-tert-butylphenyl)-10,10,26,26-tetramethyl-19,33-diaza-20-boranonacyclo[18.13.1.121,25.03,11.04,9.012,34.013,18.027,32.033,35]pentatriaconta-1(34),2,4,6,8,11,13(18),14,16,21(35),22,24,27,29,31-pentadecaen-15-amine?

The IUPAC name of N,N,19-tris(4-tert-butylphenyl)-10,10,26,26-tetramethyl-19,33-diaza-20-boranonacyclo[18.13.1.121,25.03,11.04,9.012,34.013,18.027,32.033,35]pentatriaconta-1(34),2,4,6,8,11,13(18),14,16,21(35),22,24,27,29,31-pentadecaen-15-amine (CID 174133134) is N,N,19-tris(4-tert-butylphenyl)-10,10,26,26-tetramethyl-19,33-diaza-20-boranonacyclo[18.13.1.121,25.03,11.04,9.012,34.013,18.027,32.033,35]pentatriaconta-1(34),2,4,6,8,11,13(18),14,16,21(35),22,24,27,29,31-pentadecaen-15-amine.

What is the SMILES notation for N,N,19-tris(4-tert-butylphenyl)-10,10,26,26-tetramethyl-19,33-diaza-20-boranonacyclo[18.13.1.121,25.03,11.04,9.012,34.013,18.027,32.033,35]pentatriaconta-1(34),2,4,6,8,11,13(18),14,16,21(35),22,24,27,29,31-pentadecaen-15-amine?

The canonical SMILES for N,N,19-tris(4-tert-butylphenyl)-10,10,26,26-tetramethyl-19,33-diaza-20-boranonacyclo[18.13.1.121,25.03,11.04,9.012,34.013,18.027,32.033,35]pentatriaconta-1(34),2,4,6,8,11,13(18),14,16,21(35),22,24,27,29,31-pentadecaen-15-amine is CC(C)(C)c1ccc(N2B3c4cccc5c4N(c4ccccc4C5(C)C)c4cc5c(c(c43)-c3cc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)ccc32)C(C)(C)c2ccccc2-5)cc1.

What is the InChIKey of N,N,19-tris(4-tert-butylphenyl)-10,10,26,26-tetramethyl-19,33-diaza-20-boranonacyclo[18.13.1.121,25.03,11.04,9.012,34.013,18.027,32.033,35]pentatriaconta-1(34),2,4,6,8,11,13(18),14,16,21(35),22,24,27,29,31-pentadecaen-15-amine?

The InChIKey is VLXCIBZDBMDZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H66BN3/c1-62(2,3)41-25-31-44(32-26-41)68(45-33-27-42(28-34-45)63(4,5)6)47-37-38-55-50(39-47)58-59-49(48-19-14-15-20-51(48)66(59,12)13)40-57-60(58)67(70(55)46-35-29-43(30-36-46)64(7,8)9)54-23-18-22-53-61(54)69(57)56-24-17-16-21-52(56)65(53,10)11/h14-40H,1-13H3.

What are the key properties of N,N,19-tris(4-tert-butylphenyl)-10,10,26,26-tetramethyl-19,33-diaza-20-boranonacyclo[18.13.1.121,25.03,11.04,9.012,34.013,18.027,32.033,35]pentatriaconta-1(34),2,4,6,8,11,13(18),14,16,21(35),22,24,27,29,31-pentadecaen-15-amine?

N,N,19-tris(4-tert-butylphenyl)-10,10,26,26-tetramethyl-19,33-diaza-20-boranonacyclo[18.13.1.121,25.03,11.04,9.012,34.013,18.027,32.033,35]pentatriaconta-1(34),2,4,6,8,11,13(18),14,16,21(35),22,24,27,29,31-pentadecaen-15-amine has a molecular weight of 912.09 g/mol, XLogP of 16.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N,N,19-tris(4-tert-butylphenyl)-10,10,26,26-tetramethyl-19,33-diaza-20-boranonacyclo[18.13.1.121,25.03,11.04,9.012,34.013,18.027,32.033,35]pentatriaconta-1(34),2,4,6,8,11,13(18),14,16,21(35),22,24,27,29,31-pentadecaen-15-amine is sourced from PubChem (CID 174133134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).