28,28-dimethyl-7,7-diphenyl-N,N,33-tris(4-phenylphenyl)-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.021,29.022,27.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21(29),22,24,26,30-pentadecaen-17-amine

C82H58BN3 — CID 174014511

About 28,28-dimethyl-7,7-diphenyl-N,N,33-tris(4-phenylphenyl)-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.021,29.022,27.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21(29),22,24,26,30-pentadecaen-17-amine

28,28-dimethyl-7,7-diphenyl-N,N,33-tris(4-phenylphenyl)-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.021,29.022,27.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21(29),22,24,26,30-pentadecaen-17-amine (PubChem CID 174014511) has the molecular formula C82H58BN3 and a molecular weight of 1096.20 g/mol. Its IUPAC name is 28,28-dimethyl-7,7-diphenyl-N,N,33-tris(4-phenylphenyl)-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.021,29.022,27.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21(29),22,24,26,30-pentadecaen-17-amine.

Molecular Properties

• Compound Name: 28,28-dimethyl-7,7-diphenyl-N,N,33-tris(4-phenylphenyl)-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.021,29.022,27.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21(29),22,24,26,30-pentadecaen-17-amine
• PubChem CID: 174014511
• Molecular Formula: C82H58BN3
• Molecular Weight: 1096.20 g/mol
• Exact Mass: 1095.47
• IUPAC Name: 28,28-dimethyl-7,7-diphenyl-N,N,33-tris(4-phenylphenyl)-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.021,29.022,27.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21(29),22,24,26,30-pentadecaen-17-amine
• SMILES: CC1(C)c2ccccc2-c2c1ccc1c2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc3c2B(c2cccc4c2N3c2ccccc2C4(c2ccccc2)c2ccccc2)N1c1ccc(-c2ccccc2)cc1
• InChI: InChI=1S/C82H58BN3/c1-81(2)69-34-19-18-33-67(69)77-71(81)51-52-75-78(77)68-53-66(84(63-45-39-58(40-46-63)55-23-8-3-9-24-55)64-47-41-59(42-48-64)56-25-10-4-11-26-56)54-76-79(68)83(86(75)65-49-43-60(44-50-65)57-27-12-5-13-28-57)73-37-22-36-72-80(73)85(76)74-38-21-20-35-70(74)82(72,61-29-14-6-15-30-61)62-31-16-7-17-32-62/h3-54H,1-2H3
• InChIKey: NNZOHGJOFDBTBN-UHFFFAOYSA-N
• XLogP: 19.87
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1096.20
LogP ≤ 5	19.87
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 28,28-dimethyl-7,7-diphenyl-N,N,33-tris(4-phenylphenyl)-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.021,29.022,27.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21(29),22,24,26,30-pentadecaen-17-amine?

The IUPAC name of 28,28-dimethyl-7,7-diphenyl-N,N,33-tris(4-phenylphenyl)-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.021,29.022,27.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21(29),22,24,26,30-pentadecaen-17-amine (CID 174014511) is 28,28-dimethyl-7,7-diphenyl-N,N,33-tris(4-phenylphenyl)-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.021,29.022,27.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21(29),22,24,26,30-pentadecaen-17-amine.

What is the SMILES notation for 28,28-dimethyl-7,7-diphenyl-N,N,33-tris(4-phenylphenyl)-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.021,29.022,27.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21(29),22,24,26,30-pentadecaen-17-amine?

The canonical SMILES for 28,28-dimethyl-7,7-diphenyl-N,N,33-tris(4-phenylphenyl)-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.021,29.022,27.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21(29),22,24,26,30-pentadecaen-17-amine is CC1(C)c2ccccc2-c2c1ccc1c2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc3c2B(c2cccc4c2N3c2ccccc2C4(c2ccccc2)c2ccccc2)N1c1ccc(-c2ccccc2)cc1.

What is the InChIKey of 28,28-dimethyl-7,7-diphenyl-N,N,33-tris(4-phenylphenyl)-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.021,29.022,27.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21(29),22,24,26,30-pentadecaen-17-amine?

The InChIKey is NNZOHGJOFDBTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H58BN3/c1-81(2)69-34-19-18-33-67(69)77-71(81)51-52-75-78(77)68-53-66(84(63-45-39-58(40-46-63)55-23-8-3-9-24-55)64-47-41-59(42-48-64)56-25-10-4-11-26-56)54-76-79(68)83(86(75)65-49-43-60(44-50-65)57-27-12-5-13-28-57)73-37-22-36-72-80(73)85(76)74-38-21-20-35-70(74)82(72,61-29-14-6-15-30-61)62-31-16-7-17-32-62/h3-54H,1-2H3.

What are the key properties of 28,28-dimethyl-7,7-diphenyl-N,N,33-tris(4-phenylphenyl)-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.021,29.022,27.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21(29),22,24,26,30-pentadecaen-17-amine?

28,28-dimethyl-7,7-diphenyl-N,N,33-tris(4-phenylphenyl)-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.021,29.022,27.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21(29),22,24,26,30-pentadecaen-17-amine has a molecular weight of 1096.20 g/mol, XLogP of 19.87, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 28,28-dimethyl-7,7-diphenyl-N,N,33-tris(4-phenylphenyl)-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.021,29.022,27.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21(29),22,24,26,30-pentadecaen-17-amine is sourced from PubChem (CID 174014511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).