18,18,20,20-tetramethyl-8-(1,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-14-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)-4-(2-phenylpropan-2-yl)-11-(trideuteriomethyl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaene

C64H75BN2 — CID 167394169

About 18,18,20,20-tetramethyl-8-(1,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-14-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)-4-(2-phenylpropan-2-yl)-11-(trideuteriomethyl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaene

18,18,20,20-tetramethyl-8-(1,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-14-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)-4-(2-phenylpropan-2-yl)-11-(trideuteriomethyl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaene (PubChem CID 167394169) has the molecular formula C64H75BN2 and a molecular weight of 886.15 g/mol. Its IUPAC name is 18,18,20,20-tetramethyl-8-(1,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-14-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)-4-(2-phenylpropan-2-yl)-11-(trideuteriomethyl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaene.

Molecular Properties

• Compound Name: 18,18,20,20-tetramethyl-8-(1,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-14-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)-4-(2-phenylpropan-2-yl)-11-(trideuteriomethyl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaene
• PubChem CID: 167394169
• Molecular Formula: C64H75BN2
• Molecular Weight: 886.15 g/mol
• Exact Mass: 885.62
• IUPAC Name: 18,18,20,20-tetramethyl-8-(1,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-14-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)-4-(2-phenylpropan-2-yl)-11-(trideuteriomethyl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaene
• SMILES: [2H]C([2H])([2H])c1cc2c3c(c1)N(c1ccc4c(c1C)C(C)(C)CCC4(C)C)c1ccc(C(C)(C)c4ccccc4)cc1B3c1cc3c(cc1N2c1cc2c(cc1C)C(C)(C)CC2(C)C)C(C)(C)CC3(C)C
• InChI: InChI=1S/C64H75BN2/c1-38-29-54-57-55(30-38)67(52-34-46-44(31-39(52)2)60(8,9)36-62(46,12)13)53-35-47-45(61(10,11)37-63(47,14)15)33-49(53)65(57)48-32-42(64(16,17)41-21-19-18-20-22-41)23-25-51(48)66(54)50-26-24-43-56(40(50)3)59(6,7)28-27-58(43,4)5/h18-26,29-35H,27-28,36-37H2,1-17H3/i1D3
• InChIKey: ZIJFWVKRTXYRMP-FIBGUPNXSA-N
• XLogP: 15.29
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	886.15
LogP ≤ 5	15.29
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 18,18,20,20-tetramethyl-8-(1,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-14-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)-4-(2-phenylpropan-2-yl)-11-(trideuteriomethyl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaene?

The IUPAC name of 18,18,20,20-tetramethyl-8-(1,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-14-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)-4-(2-phenylpropan-2-yl)-11-(trideuteriomethyl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaene (CID 167394169) is 18,18,20,20-tetramethyl-8-(1,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-14-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)-4-(2-phenylpropan-2-yl)-11-(trideuteriomethyl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaene.

What is the SMILES notation for 18,18,20,20-tetramethyl-8-(1,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-14-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)-4-(2-phenylpropan-2-yl)-11-(trideuteriomethyl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaene?

The canonical SMILES for 18,18,20,20-tetramethyl-8-(1,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-14-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)-4-(2-phenylpropan-2-yl)-11-(trideuteriomethyl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaene is [2H]C([2H])([2H])c1cc2c3c(c1)N(c1ccc4c(c1C)C(C)(C)CCC4(C)C)c1ccc(C(C)(C)c4ccccc4)cc1B3c1cc3c(cc1N2c1cc2c(cc1C)C(C)(C)CC2(C)C)C(C)(C)CC3(C)C.

What is the InChIKey of 18,18,20,20-tetramethyl-8-(1,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-14-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)-4-(2-phenylpropan-2-yl)-11-(trideuteriomethyl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaene?

The InChIKey is ZIJFWVKRTXYRMP-FIBGUPNXSA-N. The full InChI is InChI=1S/C64H75BN2/c1-38-29-54-57-55(30-38)67(52-34-46-44(31-39(52)2)60(8,9)36-62(46,12)13)53-35-47-45(61(10,11)37-63(47,14)15)33-49(53)65(57)48-32-42(64(16,17)41-21-19-18-20-22-41)23-25-51(48)66(54)50-26-24-43-56(40(50)3)59(6,7)28-27-58(43,4)5/h18-26,29-35H,27-28,36-37H2,1-17H3/i1D3.

What are the key properties of 18,18,20,20-tetramethyl-8-(1,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-14-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)-4-(2-phenylpropan-2-yl)-11-(trideuteriomethyl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaene?

18,18,20,20-tetramethyl-8-(1,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-14-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)-4-(2-phenylpropan-2-yl)-11-(trideuteriomethyl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaene has a molecular weight of 886.15 g/mol, XLogP of 15.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 18,18,20,20-tetramethyl-8-(1,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-14-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)-4-(2-phenylpropan-2-yl)-11-(trideuteriomethyl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaene is sourced from PubChem (CID 167394169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).