7,7,22,22-tetramethyl-17-phenyl-33-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.021,29.023,28.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21(29),23,25,27,30-pentadecaene

C56H51BN2 — CID 174018136

About 7,7,22,22-tetramethyl-17-phenyl-33-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.021,29.023,28.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21(29),23,25,27,30-pentadecaene

7,7,22,22-tetramethyl-17-phenyl-33-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.021,29.023,28.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21(29),23,25,27,30-pentadecaene (PubChem CID 174018136) has the molecular formula C56H51BN2 and a molecular weight of 762.85 g/mol. Its IUPAC name is 7,7,22,22-tetramethyl-17-phenyl-33-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.021,29.023,28.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21(29),23,25,27,30-pentadecaene.

Molecular Properties

• Compound Name: 7,7,22,22-tetramethyl-17-phenyl-33-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.021,29.023,28.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21(29),23,25,27,30-pentadecaene
• PubChem CID: 174018136
• Molecular Formula: C56H51BN2
• Molecular Weight: 762.85 g/mol
• Exact Mass: 762.41
• IUPAC Name: 7,7,22,22-tetramethyl-17-phenyl-33-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.021,29.023,28.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21(29),23,25,27,30-pentadecaene
• SMILES: CC1(C)CCC(C)(C)c2cc(N3B4c5cccc6c5N(c5ccccc5C6(C)C)c5cc(-c6ccccc6)cc(c54)-c4c3ccc3c4C(C)(C)c4ccccc4-3)ccc21
• InChI: InChI=1S/C56H51BN2/c1-53(2)29-30-54(3,4)44-33-36(25-27-41(44)53)59-47-28-26-38-37-19-12-13-20-40(37)56(7,8)50(38)49(47)39-31-35(34-17-10-9-11-18-34)32-48-51(39)57(59)45-23-16-22-43-52(45)58(48)46-24-15-14-21-42(46)55(43,5)6/h9-28,31-33H,29-30H2,1-8H3
• InChIKey: LIFQMIIZCUQSHB-UHFFFAOYSA-N
• XLogP: 13.36
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	762.85
LogP ≤ 5	13.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7,7,22,22-tetramethyl-17-phenyl-33-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.021,29.023,28.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21(29),23,25,27,30-pentadecaene?

The IUPAC name of 7,7,22,22-tetramethyl-17-phenyl-33-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.021,29.023,28.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21(29),23,25,27,30-pentadecaene (CID 174018136) is 7,7,22,22-tetramethyl-17-phenyl-33-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.021,29.023,28.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21(29),23,25,27,30-pentadecaene.

What is the SMILES notation for 7,7,22,22-tetramethyl-17-phenyl-33-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.021,29.023,28.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21(29),23,25,27,30-pentadecaene?

The canonical SMILES for 7,7,22,22-tetramethyl-17-phenyl-33-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.021,29.023,28.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21(29),23,25,27,30-pentadecaene is CC1(C)CCC(C)(C)c2cc(N3B4c5cccc6c5N(c5ccccc5C6(C)C)c5cc(-c6ccccc6)cc(c54)-c4c3ccc3c4C(C)(C)c4ccccc4-3)ccc21.

What is the InChIKey of 7,7,22,22-tetramethyl-17-phenyl-33-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.021,29.023,28.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21(29),23,25,27,30-pentadecaene?

The InChIKey is LIFQMIIZCUQSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H51BN2/c1-53(2)29-30-54(3,4)44-33-36(25-27-41(44)53)59-47-28-26-38-37-19-12-13-20-40(37)56(7,8)50(38)49(47)39-31-35(34-17-10-9-11-18-34)32-48-51(39)57(59)45-23-16-22-43-52(45)58(48)46-24-15-14-21-42(46)55(43,5)6/h9-28,31-33H,29-30H2,1-8H3.

What are the key properties of 7,7,22,22-tetramethyl-17-phenyl-33-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.021,29.023,28.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21(29),23,25,27,30-pentadecaene?

7,7,22,22-tetramethyl-17-phenyl-33-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.021,29.023,28.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21(29),23,25,27,30-pentadecaene has a molecular weight of 762.85 g/mol, XLogP of 13.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7,7,22,22-tetramethyl-17-phenyl-33-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.021,29.023,28.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21(29),23,25,27,30-pentadecaene is sourced from PubChem (CID 174018136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).