33-(4-tert-butylphenyl)-23,23-dimethyl-N,N-bis(3-phenylphenyl)spiro[14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20,22(30),24,26,28,31-pentadecaene-7,9'-fluorene]-17-amine

C80H60BN3 — CID 174124407

About 33-(4-tert-butylphenyl)-23,23-dimethyl-N,N-bis(3-phenylphenyl)spiro[14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20,22(30),24,26,28,31-pentadecaene-7,9'-fluorene]-17-amine

33-(4-tert-butylphenyl)-23,23-dimethyl-N,N-bis(3-phenylphenyl)spiro[14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20,22(30),24,26,28,31-pentadecaene-7,9'-fluorene]-17-amine (PubChem CID 174124407) has the molecular formula C80H60BN3 and a molecular weight of 1074.19 g/mol. Its IUPAC name is 33-(4-tert-butylphenyl)-23,23-dimethyl-N,N-bis(3-phenylphenyl)spiro[14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20,22(30),24,26,28,31-pentadecaene-7,9'-fluorene]-17-amine.

Molecular Properties

• Compound Name: 33-(4-tert-butylphenyl)-23,23-dimethyl-N,N-bis(3-phenylphenyl)spiro[14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20,22(30),24,26,28,31-pentadecaene-7,9'-fluorene]-17-amine
• PubChem CID: 174124407
• Molecular Formula: C80H60BN3
• Molecular Weight: 1074.19 g/mol
• Exact Mass: 1073.49
• IUPAC Name: 33-(4-tert-butylphenyl)-23,23-dimethyl-N,N-bis(3-phenylphenyl)spiro[14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20,22(30),24,26,28,31-pentadecaene-7,9'-fluorene]-17-amine
• SMILES: CC(C)(C)c1ccc(N2B3c4cccc5c4N(c4ccccc4C54c5ccccc5-c5ccccc54)c4cc(N(c5cccc(-c6ccccc6)c5)c5cccc(-c6ccccc6)c5)cc(c43)-c3cc4c(cc32)-c2ccccc2C4(C)C)cc1
• InChI: InChI=1S/C80H60BN3/c1-78(2,3)55-41-43-56(44-42-55)84-74-50-63-62-33-12-15-34-66(62)79(4,5)71(63)49-64(74)65-47-59(82(57-29-20-27-53(45-57)51-23-8-6-9-24-51)58-30-21-28-54(46-58)52-25-10-7-11-26-52)48-75-76(65)81(84)72-39-22-38-70-77(72)83(75)73-40-19-18-37-69(73)80(70)67-35-16-13-31-60(67)61-32-14-17-36-68(61)80/h6-50H,1-5H3
• InChIKey: NZRDEVRPFCHSJK-UHFFFAOYSA-N
• XLogP: 19.48
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1074.19
LogP ≤ 5	19.48
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 33-(4-tert-butylphenyl)-23,23-dimethyl-N,N-bis(3-phenylphenyl)spiro[14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20,22(30),24,26,28,31-pentadecaene-7,9'-fluorene]-17-amine?

The IUPAC name of 33-(4-tert-butylphenyl)-23,23-dimethyl-N,N-bis(3-phenylphenyl)spiro[14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20,22(30),24,26,28,31-pentadecaene-7,9'-fluorene]-17-amine (CID 174124407) is 33-(4-tert-butylphenyl)-23,23-dimethyl-N,N-bis(3-phenylphenyl)spiro[14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20,22(30),24,26,28,31-pentadecaene-7,9'-fluorene]-17-amine.

What is the SMILES notation for 33-(4-tert-butylphenyl)-23,23-dimethyl-N,N-bis(3-phenylphenyl)spiro[14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20,22(30),24,26,28,31-pentadecaene-7,9'-fluorene]-17-amine?

The canonical SMILES for 33-(4-tert-butylphenyl)-23,23-dimethyl-N,N-bis(3-phenylphenyl)spiro[14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20,22(30),24,26,28,31-pentadecaene-7,9'-fluorene]-17-amine is CC(C)(C)c1ccc(N2B3c4cccc5c4N(c4ccccc4C54c5ccccc5-c5ccccc54)c4cc(N(c5cccc(-c6ccccc6)c5)c5cccc(-c6ccccc6)c5)cc(c43)-c3cc4c(cc32)-c2ccccc2C4(C)C)cc1.

What is the InChIKey of 33-(4-tert-butylphenyl)-23,23-dimethyl-N,N-bis(3-phenylphenyl)spiro[14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20,22(30),24,26,28,31-pentadecaene-7,9'-fluorene]-17-amine?

The InChIKey is NZRDEVRPFCHSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H60BN3/c1-78(2,3)55-41-43-56(44-42-55)84-74-50-63-62-33-12-15-34-66(62)79(4,5)71(63)49-64(74)65-47-59(82(57-29-20-27-53(45-57)51-23-8-6-9-24-51)58-30-21-28-54(46-58)52-25-10-7-11-26-52)48-75-76(65)81(84)72-39-22-38-70-77(72)83(75)73-40-19-18-37-69(73)80(70)67-35-16-13-31-60(67)61-32-14-17-36-68(61)80/h6-50H,1-5H3.

What are the key properties of 33-(4-tert-butylphenyl)-23,23-dimethyl-N,N-bis(3-phenylphenyl)spiro[14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20,22(30),24,26,28,31-pentadecaene-7,9'-fluorene]-17-amine?

33-(4-tert-butylphenyl)-23,23-dimethyl-N,N-bis(3-phenylphenyl)spiro[14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20,22(30),24,26,28,31-pentadecaene-7,9'-fluorene]-17-amine has a molecular weight of 1074.19 g/mol, XLogP of 19.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 33-(4-tert-butylphenyl)-23,23-dimethyl-N,N-bis(3-phenylphenyl)spiro[14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20,22(30),24,26,28,31-pentadecaene-7,9'-fluorene]-17-amine is sourced from PubChem (CID 174124407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).