N,N-bis(4-tert-butylphenyl)-3,3,7,7,10,10-hexamethyl-15-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-15,36-diaza-1-boradecacyclo[18.16.1.121,25.02,14.04,13.06,11.016,37.026,35.027,32.036,38]octatriaconta-2(14),4,6(11),12,16,18,20(37),21,23,25(38),26(35),27,29,31,33-pentadecaen-18-amine

C75H80BN3 — CID 174127351

About N,N-bis(4-tert-butylphenyl)-3,3,7,7,10,10-hexamethyl-15-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-15,36-diaza-1-boradecacyclo[18.16.1.121,25.02,14.04,13.06,11.016,37.026,35.027,32.036,38]octatriaconta-2(14),4,6(11),12,16,18,20(37),21,23,25(38),26(35),27,29,31,33-pentadecaen-18-amine

N,N-bis(4-tert-butylphenyl)-3,3,7,7,10,10-hexamethyl-15-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-15,36-diaza-1-boradecacyclo[18.16.1.121,25.02,14.04,13.06,11.016,37.026,35.027,32.036,38]octatriaconta-2(14),4,6(11),12,16,18,20(37),21,23,25(38),26(35),27,29,31,33-pentadecaen-18-amine (PubChem CID 174127351) has the molecular formula C75H80BN3 and a molecular weight of 1034.30 g/mol. Its IUPAC name is N,N-bis(4-tert-butylphenyl)-3,3,7,7,10,10-hexamethyl-15-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-15,36-diaza-1-boradecacyclo[18.16.1.121,25.02,14.04,13.06,11.016,37.026,35.027,32.036,38]octatriaconta-2(14),4,6(11),12,16,18,20(37),21,23,25(38),26(35),27,29,31,33-pentadecaen-18-amine.

Molecular Properties

• Compound Name: N,N-bis(4-tert-butylphenyl)-3,3,7,7,10,10-hexamethyl-15-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-15,36-diaza-1-boradecacyclo[18.16.1.121,25.02,14.04,13.06,11.016,37.026,35.027,32.036,38]octatriaconta-2(14),4,6(11),12,16,18,20(37),21,23,25(38),26(35),27,29,31,33-pentadecaen-18-amine
• PubChem CID: 174127351
• Molecular Formula: C75H80BN3
• Molecular Weight: 1034.30 g/mol
• Exact Mass: 1033.64
• IUPAC Name: N,N-bis(4-tert-butylphenyl)-3,3,7,7,10,10-hexamethyl-15-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-15,36-diaza-1-boradecacyclo[18.16.1.121,25.02,14.04,13.06,11.016,37.026,35.027,32.036,38]octatriaconta-2(14),4,6(11),12,16,18,20(37),21,23,25(38),26(35),27,29,31,33-pentadecaen-18-amine
• SMILES: CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c4c(c2)N(c2ccc5c(c2)C(C)(C)CCC5(C)C)C2=C(B4n4c5ccc6ccccc6c5c5cccc-3c54)C(C)(C)c3cc4c(cc32)C(C)(C)CCC4(C)C)cc1
• InChI: InChI=1S/C75H80BN3/c1-69(2,3)46-25-29-48(30-26-46)77(49-31-27-47(28-32-49)70(4,5)6)51-40-55-53-22-19-23-54-64-52-21-18-17-20-45(52)24-35-62(64)79(66(53)54)76-65(55)63(42-51)78(50-33-34-57-59(41-50)72(9,10)37-36-71(57,7)8)67-56-43-60-61(44-58(56)75(15,16)68(67)76)74(13,14)39-38-73(60,11)12/h17-35,40-44H,36-39H2,1-16H3
• InChIKey: BLSSTDWGIHXFMM-UHFFFAOYSA-N
• XLogP: 19.83
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1034.30
LogP ≤ 5	19.83
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-bis(4-tert-butylphenyl)-3,3,7,7,10,10-hexamethyl-15-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-15,36-diaza-1-boradecacyclo[18.16.1.121,25.02,14.04,13.06,11.016,37.026,35.027,32.036,38]octatriaconta-2(14),4,6(11),12,16,18,20(37),21,23,25(38),26(35),27,29,31,33-pentadecaen-18-amine?

The IUPAC name of N,N-bis(4-tert-butylphenyl)-3,3,7,7,10,10-hexamethyl-15-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-15,36-diaza-1-boradecacyclo[18.16.1.121,25.02,14.04,13.06,11.016,37.026,35.027,32.036,38]octatriaconta-2(14),4,6(11),12,16,18,20(37),21,23,25(38),26(35),27,29,31,33-pentadecaen-18-amine (CID 174127351) is N,N-bis(4-tert-butylphenyl)-3,3,7,7,10,10-hexamethyl-15-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-15,36-diaza-1-boradecacyclo[18.16.1.121,25.02,14.04,13.06,11.016,37.026,35.027,32.036,38]octatriaconta-2(14),4,6(11),12,16,18,20(37),21,23,25(38),26(35),27,29,31,33-pentadecaen-18-amine.

What is the SMILES notation for N,N-bis(4-tert-butylphenyl)-3,3,7,7,10,10-hexamethyl-15-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-15,36-diaza-1-boradecacyclo[18.16.1.121,25.02,14.04,13.06,11.016,37.026,35.027,32.036,38]octatriaconta-2(14),4,6(11),12,16,18,20(37),21,23,25(38),26(35),27,29,31,33-pentadecaen-18-amine?

The canonical SMILES for N,N-bis(4-tert-butylphenyl)-3,3,7,7,10,10-hexamethyl-15-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-15,36-diaza-1-boradecacyclo[18.16.1.121,25.02,14.04,13.06,11.016,37.026,35.027,32.036,38]octatriaconta-2(14),4,6(11),12,16,18,20(37),21,23,25(38),26(35),27,29,31,33-pentadecaen-18-amine is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c4c(c2)N(c2ccc5c(c2)C(C)(C)CCC5(C)C)C2=C(B4n4c5ccc6ccccc6c5c5cccc-3c54)C(C)(C)c3cc4c(cc32)C(C)(C)CCC4(C)C)cc1.

What is the InChIKey of N,N-bis(4-tert-butylphenyl)-3,3,7,7,10,10-hexamethyl-15-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-15,36-diaza-1-boradecacyclo[18.16.1.121,25.02,14.04,13.06,11.016,37.026,35.027,32.036,38]octatriaconta-2(14),4,6(11),12,16,18,20(37),21,23,25(38),26(35),27,29,31,33-pentadecaen-18-amine?

The InChIKey is BLSSTDWGIHXFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H80BN3/c1-69(2,3)46-25-29-48(30-26-46)77(49-31-27-47(28-32-49)70(4,5)6)51-40-55-53-22-19-23-54-64-52-21-18-17-20-45(52)24-35-62(64)79(66(53)54)76-65(55)63(42-51)78(50-33-34-57-59(41-50)72(9,10)37-36-71(57,7)8)67-56-43-60-61(44-58(56)75(15,16)68(67)76)74(13,14)39-38-73(60,11)12/h17-35,40-44H,36-39H2,1-16H3.

What are the key properties of N,N-bis(4-tert-butylphenyl)-3,3,7,7,10,10-hexamethyl-15-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-15,36-diaza-1-boradecacyclo[18.16.1.121,25.02,14.04,13.06,11.016,37.026,35.027,32.036,38]octatriaconta-2(14),4,6(11),12,16,18,20(37),21,23,25(38),26(35),27,29,31,33-pentadecaen-18-amine?

N,N-bis(4-tert-butylphenyl)-3,3,7,7,10,10-hexamethyl-15-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-15,36-diaza-1-boradecacyclo[18.16.1.121,25.02,14.04,13.06,11.016,37.026,35.027,32.036,38]octatriaconta-2(14),4,6(11),12,16,18,20(37),21,23,25(38),26(35),27,29,31,33-pentadecaen-18-amine has a molecular weight of 1034.30 g/mol, XLogP of 19.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis(4-tert-butylphenyl)-3,3,7,7,10,10-hexamethyl-15-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-15,36-diaza-1-boradecacyclo[18.16.1.121,25.02,14.04,13.06,11.016,37.026,35.027,32.036,38]octatriaconta-2(14),4,6(11),12,16,18,20(37),21,23,25(38),26(35),27,29,31,33-pentadecaen-18-amine is sourced from PubChem (CID 174127351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).