4,11-ditert-butyl-14-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-8-(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-20-oxa-8,14,18-triaza-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),18,22-decaene;4,11-ditert-butyl-8-(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-14-(2,6-diphenylphenyl)-20-oxa-8,14,18-triaza-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),18,22-decaene

C144H148B2N6O2 — CID 163791903

About 4,11-ditert-butyl-14-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-8-(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-20-oxa-8,14,18-triaza-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),18,22-decaene;4,11-ditert-butyl-8-(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-14-(2,6-diphenylphenyl)-20-oxa-8,14,18-triaza-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),18,22-decaene

4,11-ditert-butyl-14-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-8-(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-20-oxa-8,14,18-triaza-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),18,22-decaene;4,11-ditert-butyl-8-(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-14-(2,6-diphenylphenyl)-20-oxa-8,14,18-triaza-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),18,22-decaene (PubChem CID 163791903) has the molecular formula C144H148B2N6O2 and a molecular weight of 2016.43 g/mol. Its IUPAC name is 4,11-ditert-butyl-14-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-8-(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-20-oxa-8,14,18-triaza-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),18,22-decaene;4,11-ditert-butyl-8-(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-14-(2,6-diphenylphenyl)-20-oxa-8,14,18-triaza-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),18,22-decaene.

Molecular Properties

• Compound Name: 4,11-ditert-butyl-14-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-8-(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-20-oxa-8,14,18-triaza-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),18,22-decaene;4,11-ditert-butyl-8-(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-14-(2,6-diphenylphenyl)-20-oxa-8,14,18-triaza-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),18,22-decaene
• PubChem CID: 163791903
• Molecular Formula: C144H148B2N6O2
• Molecular Weight: 2016.43 g/mol
• Exact Mass: 2015.18
• IUPAC Name: 4,11-ditert-butyl-14-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-8-(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-20-oxa-8,14,18-triaza-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),18,22-decaene;4,11-ditert-butyl-8-(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-14-(2,6-diphenylphenyl)-20-oxa-8,14,18-triaza-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),18,22-decaene
• SMILES: CC(C)(C)c1ccc(-c2ccc(-c3nc4cc5c(cc4o3)B3c4cc(C(C)(C)C)ccc4N(c4ccc(C(C)(C)C)cc4)c4cc(C(C)(C)C)cc(c43)N5c3c(-c4ccccc4)cccc3-c3ccccc3)cc2)cc1.CC(C)(C)c1ccc(-c2ccc(-c3nc4cc5c(cc4o3)B3c4cc(C(C)(C)C)ccc4N(c4ccc(C(C)(C)C)cc4)c4cc(C(C)(C)C)cc(c43)N5c3ccc(C(C)(C)C)cc3-c3ccc(C(C)(C)C)cc3)cc2)cc1
• InChI: InChI=1S/C73H80BN3O.C71H68BN3O/c1-68(2,3)49-27-23-46(24-28-49)45-19-21-48(22-20-45)67-75-59-44-62-58(43-65(59)78-67)74-57-40-53(72(13,14)15)34-38-61(57)76(55-35-31-51(32-36-55)70(7,8)9)63-41-54(73(16,17)18)42-64(66(63)74)77(62)60-37-33-52(71(10,11)12)39-56(60)47-25-29-50(30-26-47)69(4,5)6;1-68(2,3)50-32-30-46(31-33-50)45-26-28-49(29-27-45)67-73-59-44-61-58(43-64(59)76-67)72-57-40-52(70(7,8)9)36-39-60(57)74(54-37-34-51(35-38-54)69(4,5)6)62-41-53(71(10,11)12)42-63(65(62)72)75(61)66-55(47-20-15-13-16-21-47)24-19-25-56(66)48-22-17-14-18-23-48/h19-44H,1-18H3;13-44H,1-12H3
• InChIKey: MXMRCIDZQBAESZ-UHFFFAOYSA-N
• XLogP: 36.46
• TPSA: 65.02 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2016.43
LogP ≤ 5	36.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,11-ditert-butyl-14-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-8-(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-20-oxa-8,14,18-triaza-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),18,22-decaene;4,11-ditert-butyl-8-(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-14-(2,6-diphenylphenyl)-20-oxa-8,14,18-triaza-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),18,22-decaene?

The IUPAC name of 4,11-ditert-butyl-14-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-8-(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-20-oxa-8,14,18-triaza-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),18,22-decaene;4,11-ditert-butyl-8-(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-14-(2,6-diphenylphenyl)-20-oxa-8,14,18-triaza-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),18,22-decaene (CID 163791903) is 4,11-ditert-butyl-14-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-8-(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-20-oxa-8,14,18-triaza-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),18,22-decaene;4,11-ditert-butyl-8-(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-14-(2,6-diphenylphenyl)-20-oxa-8,14,18-triaza-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),18,22-decaene.

What is the SMILES notation for 4,11-ditert-butyl-14-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-8-(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-20-oxa-8,14,18-triaza-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),18,22-decaene;4,11-ditert-butyl-8-(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-14-(2,6-diphenylphenyl)-20-oxa-8,14,18-triaza-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),18,22-decaene?

The canonical SMILES for 4,11-ditert-butyl-14-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-8-(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-20-oxa-8,14,18-triaza-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),18,22-decaene;4,11-ditert-butyl-8-(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-14-(2,6-diphenylphenyl)-20-oxa-8,14,18-triaza-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),18,22-decaene is CC(C)(C)c1ccc(-c2ccc(-c3nc4cc5c(cc4o3)B3c4cc(C(C)(C)C)ccc4N(c4ccc(C(C)(C)C)cc4)c4cc(C(C)(C)C)cc(c43)N5c3c(-c4ccccc4)cccc3-c3ccccc3)cc2)cc1.CC(C)(C)c1ccc(-c2ccc(-c3nc4cc5c(cc4o3)B3c4cc(C(C)(C)C)ccc4N(c4ccc(C(C)(C)C)cc4)c4cc(C(C)(C)C)cc(c43)N5c3ccc(C(C)(C)C)cc3-c3ccc(C(C)(C)C)cc3)cc2)cc1.

What is the InChIKey of 4,11-ditert-butyl-14-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-8-(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-20-oxa-8,14,18-triaza-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),18,22-decaene;4,11-ditert-butyl-8-(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-14-(2,6-diphenylphenyl)-20-oxa-8,14,18-triaza-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),18,22-decaene?

The InChIKey is MXMRCIDZQBAESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H80BN3O.C71H68BN3O/c1-68(2,3)49-27-23-46(24-28-49)45-19-21-48(22-20-45)67-75-59-44-62-58(43-65(59)78-67)74-57-40-53(72(13,14)15)34-38-61(57)76(55-35-31-51(32-36-55)70(7,8)9)63-41-54(73(16,17)18)42-64(66(63)74)77(62)60-37-33-52(71(10,11)12)39-56(60)47-25-29-50(30-26-47)69(4,5)6;1-68(2,3)50-32-30-46(31-33-50)45-26-28-49(29-27-45)67-73-59-44-61-58(43-64(59)76-67)72-57-40-52(70(7,8)9)36-39-60(57)74(54-37-34-51(35-38-54)69(4,5)6)62-41-53(71(10,11)12)42-63(65(62)72)75(61)66-55(47-20-15-13-16-21-47)24-19-25-56(66)48-22-17-14-18-23-48/h19-44H,1-18H3;13-44H,1-12H3.

What are the key properties of 4,11-ditert-butyl-14-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-8-(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-20-oxa-8,14,18-triaza-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),18,22-decaene;4,11-ditert-butyl-8-(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-14-(2,6-diphenylphenyl)-20-oxa-8,14,18-triaza-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),18,22-decaene?

4,11-ditert-butyl-14-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-8-(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-20-oxa-8,14,18-triaza-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),18,22-decaene;4,11-ditert-butyl-8-(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-14-(2,6-diphenylphenyl)-20-oxa-8,14,18-triaza-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),18,22-decaene has a molecular weight of 2016.43 g/mol, XLogP of 36.46, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4,11-ditert-butyl-14-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-8-(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-20-oxa-8,14,18-triaza-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),18,22-decaene;4,11-ditert-butyl-8-(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-14-(2,6-diphenylphenyl)-20-oxa-8,14,18-triaza-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),18,22-decaene is sourced from PubChem (CID 163791903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).