34-(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11,11,23,23-tetramethyl-N,N-diphenyl-8,34-diaza-1-boranonacyclo[18.14.1.02,7.09,35.010,18.012,17.021,33.022,30.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,21(33),22(30),24,26,28,31-pentadecaen-4-amine

C74H66BN3 — CID 174128525

About 34-(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11,11,23,23-tetramethyl-N,N-diphenyl-8,34-diaza-1-boranonacyclo[18.14.1.02,7.09,35.010,18.012,17.021,33.022,30.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,21(33),22(30),24,26,28,31-pentadecaen-4-amine

34-(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11,11,23,23-tetramethyl-N,N-diphenyl-8,34-diaza-1-boranonacyclo[18.14.1.02,7.09,35.010,18.012,17.021,33.022,30.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,21(33),22(30),24,26,28,31-pentadecaen-4-amine (PubChem CID 174128525) has the molecular formula C74H66BN3 and a molecular weight of 1008.17 g/mol. Its IUPAC name is 34-(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11,11,23,23-tetramethyl-N,N-diphenyl-8,34-diaza-1-boranonacyclo[18.14.1.02,7.09,35.010,18.012,17.021,33.022,30.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,21(33),22(30),24,26,28,31-pentadecaen-4-amine.

Molecular Properties

• Compound Name: 34-(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11,11,23,23-tetramethyl-N,N-diphenyl-8,34-diaza-1-boranonacyclo[18.14.1.02,7.09,35.010,18.012,17.021,33.022,30.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,21(33),22(30),24,26,28,31-pentadecaen-4-amine
• PubChem CID: 174128525
• Molecular Formula: C74H66BN3
• Molecular Weight: 1008.17 g/mol
• Exact Mass: 1007.53
• IUPAC Name: 34-(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11,11,23,23-tetramethyl-N,N-diphenyl-8,34-diaza-1-boranonacyclo[18.14.1.02,7.09,35.010,18.012,17.021,33.022,30.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,21(33),22(30),24,26,28,31-pentadecaen-4-amine
• SMILES: CC(C)(C)c1ccc(N2B3c4cc(N(c5ccccc5)c5ccccc5)ccc4N(c4ccc(C(C)(C)C)cc4-c4ccccc4)c4c3c(cc3c4C(C)(C)c4ccccc4-3)-c3c2ccc2c3C(C)(C)c3ccccc3-2)cc1
• InChI: InChI=1S/C74H66BN3/c1-71(2,3)48-34-37-52(38-35-48)78-65-43-40-56-54-30-20-22-32-60(54)73(7,8)67(56)66(65)59-46-58-55-31-21-23-33-61(55)74(9,10)68(58)70-69(59)75(78)62-45-53(76(50-26-16-12-17-27-50)51-28-18-13-19-29-51)39-42-64(62)77(70)63-41-36-49(72(4,5)6)44-57(63)47-24-14-11-15-25-47/h11-46H,1-10H3
• InChIKey: DMAQSZZQAFWYML-UHFFFAOYSA-N
• XLogP: 18.74
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1008.17
LogP ≤ 5	18.74
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 34-(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11,11,23,23-tetramethyl-N,N-diphenyl-8,34-diaza-1-boranonacyclo[18.14.1.02,7.09,35.010,18.012,17.021,33.022,30.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,21(33),22(30),24,26,28,31-pentadecaen-4-amine?

The IUPAC name of 34-(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11,11,23,23-tetramethyl-N,N-diphenyl-8,34-diaza-1-boranonacyclo[18.14.1.02,7.09,35.010,18.012,17.021,33.022,30.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,21(33),22(30),24,26,28,31-pentadecaen-4-amine (CID 174128525) is 34-(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11,11,23,23-tetramethyl-N,N-diphenyl-8,34-diaza-1-boranonacyclo[18.14.1.02,7.09,35.010,18.012,17.021,33.022,30.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,21(33),22(30),24,26,28,31-pentadecaen-4-amine.

What is the SMILES notation for 34-(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11,11,23,23-tetramethyl-N,N-diphenyl-8,34-diaza-1-boranonacyclo[18.14.1.02,7.09,35.010,18.012,17.021,33.022,30.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,21(33),22(30),24,26,28,31-pentadecaen-4-amine?

The canonical SMILES for 34-(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11,11,23,23-tetramethyl-N,N-diphenyl-8,34-diaza-1-boranonacyclo[18.14.1.02,7.09,35.010,18.012,17.021,33.022,30.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,21(33),22(30),24,26,28,31-pentadecaen-4-amine is CC(C)(C)c1ccc(N2B3c4cc(N(c5ccccc5)c5ccccc5)ccc4N(c4ccc(C(C)(C)C)cc4-c4ccccc4)c4c3c(cc3c4C(C)(C)c4ccccc4-3)-c3c2ccc2c3C(C)(C)c3ccccc3-2)cc1.

What is the InChIKey of 34-(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11,11,23,23-tetramethyl-N,N-diphenyl-8,34-diaza-1-boranonacyclo[18.14.1.02,7.09,35.010,18.012,17.021,33.022,30.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,21(33),22(30),24,26,28,31-pentadecaen-4-amine?

The InChIKey is DMAQSZZQAFWYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H66BN3/c1-71(2,3)48-34-37-52(38-35-48)78-65-43-40-56-54-30-20-22-32-60(54)73(7,8)67(56)66(65)59-46-58-55-31-21-23-33-61(55)74(9,10)68(58)70-69(59)75(78)62-45-53(76(50-26-16-12-17-27-50)51-28-18-13-19-29-51)39-42-64(62)77(70)63-41-36-49(72(4,5)6)44-57(63)47-24-14-11-15-25-47/h11-46H,1-10H3.

What are the key properties of 34-(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11,11,23,23-tetramethyl-N,N-diphenyl-8,34-diaza-1-boranonacyclo[18.14.1.02,7.09,35.010,18.012,17.021,33.022,30.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,21(33),22(30),24,26,28,31-pentadecaen-4-amine?

34-(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11,11,23,23-tetramethyl-N,N-diphenyl-8,34-diaza-1-boranonacyclo[18.14.1.02,7.09,35.010,18.012,17.021,33.022,30.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,21(33),22(30),24,26,28,31-pentadecaen-4-amine has a molecular weight of 1008.17 g/mol, XLogP of 18.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 34-(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11,11,23,23-tetramethyl-N,N-diphenyl-8,34-diaza-1-boranonacyclo[18.14.1.02,7.09,35.010,18.012,17.021,33.022,30.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,21(33),22(30),24,26,28,31-pentadecaen-4-amine is sourced from PubChem (CID 174128525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).