14,25-ditert-butyl-6-(4-tert-butylphenyl)-18,23-dimethyl-5-phenyl-11-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5,7,11,17-tetraza-1-boraoctacyclo[14.12.1.117,24.02,10.04,8.012,29.018,23.028,30]triaconta-2,4(8),6,9,12(29),13,15,24,26,28(30)-decaene

C65H75BN4 — CID 163839284

About 14,25-ditert-butyl-6-(4-tert-butylphenyl)-18,23-dimethyl-5-phenyl-11-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5,7,11,17-tetraza-1-boraoctacyclo[14.12.1.117,24.02,10.04,8.012,29.018,23.028,30]triaconta-2,4(8),6,9,12(29),13,15,24,26,28(30)-decaene

14,25-ditert-butyl-6-(4-tert-butylphenyl)-18,23-dimethyl-5-phenyl-11-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5,7,11,17-tetraza-1-boraoctacyclo[14.12.1.117,24.02,10.04,8.012,29.018,23.028,30]triaconta-2,4(8),6,9,12(29),13,15,24,26,28(30)-decaene (PubChem CID 163839284) has the molecular formula C65H75BN4 and a molecular weight of 923.15 g/mol. Its IUPAC name is 14,25-ditert-butyl-6-(4-tert-butylphenyl)-18,23-dimethyl-5-phenyl-11-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5,7,11,17-tetraza-1-boraoctacyclo[14.12.1.117,24.02,10.04,8.012,29.018,23.028,30]triaconta-2,4(8),6,9,12(29),13,15,24,26,28(30)-decaene.

Molecular Properties

• Compound Name: 14,25-ditert-butyl-6-(4-tert-butylphenyl)-18,23-dimethyl-5-phenyl-11-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5,7,11,17-tetraza-1-boraoctacyclo[14.12.1.117,24.02,10.04,8.012,29.018,23.028,30]triaconta-2,4(8),6,9,12(29),13,15,24,26,28(30)-decaene
• PubChem CID: 163839284
• Molecular Formula: C65H75BN4
• Molecular Weight: 923.15 g/mol
• Exact Mass: 922.61
• IUPAC Name: 14,25-ditert-butyl-6-(4-tert-butylphenyl)-18,23-dimethyl-5-phenyl-11-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5,7,11,17-tetraza-1-boraoctacyclo[14.12.1.117,24.02,10.04,8.012,29.018,23.028,30]triaconta-2,4(8),6,9,12(29),13,15,24,26,28(30)-decaene
• SMILES: CC(C)(C)c1ccc(-c2nc3cc4c(cc3n2-c2ccccc2)B2c3ccc(C(C)(C)C)c5c3N(c3cc(C(C)(C)C)cc(c32)N4c2ccc3c(c2)C(C)(C)CCC3(C)C)C2(C)CCCCC52C)cc1
• InChI: InChI=1S/C65H75BN4/c1-59(2,3)41-25-23-40(24-26-41)58-67-50-39-51-49(38-52(50)69(58)43-21-17-16-18-22-43)66-48-30-29-46(61(7,8)9)55-57(48)70(65(15)32-20-19-31-64(55,65)14)54-36-42(60(4,5)6)35-53(56(54)66)68(51)44-27-28-45-47(37-44)63(12,13)34-33-62(45,10)11/h16-18,21-30,35-39H,19-20,31-34H2,1-15H3
• InChIKey: NXKNKEZZJBEIJZ-UHFFFAOYSA-N
• XLogP: 15.29
• TPSA: 24.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	923.15
LogP ≤ 5	15.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14,25-ditert-butyl-6-(4-tert-butylphenyl)-18,23-dimethyl-5-phenyl-11-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5,7,11,17-tetraza-1-boraoctacyclo[14.12.1.117,24.02,10.04,8.012,29.018,23.028,30]triaconta-2,4(8),6,9,12(29),13,15,24,26,28(30)-decaene?

The IUPAC name of 14,25-ditert-butyl-6-(4-tert-butylphenyl)-18,23-dimethyl-5-phenyl-11-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5,7,11,17-tetraza-1-boraoctacyclo[14.12.1.117,24.02,10.04,8.012,29.018,23.028,30]triaconta-2,4(8),6,9,12(29),13,15,24,26,28(30)-decaene (CID 163839284) is 14,25-ditert-butyl-6-(4-tert-butylphenyl)-18,23-dimethyl-5-phenyl-11-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5,7,11,17-tetraza-1-boraoctacyclo[14.12.1.117,24.02,10.04,8.012,29.018,23.028,30]triaconta-2,4(8),6,9,12(29),13,15,24,26,28(30)-decaene.

What is the SMILES notation for 14,25-ditert-butyl-6-(4-tert-butylphenyl)-18,23-dimethyl-5-phenyl-11-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5,7,11,17-tetraza-1-boraoctacyclo[14.12.1.117,24.02,10.04,8.012,29.018,23.028,30]triaconta-2,4(8),6,9,12(29),13,15,24,26,28(30)-decaene?

The canonical SMILES for 14,25-ditert-butyl-6-(4-tert-butylphenyl)-18,23-dimethyl-5-phenyl-11-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5,7,11,17-tetraza-1-boraoctacyclo[14.12.1.117,24.02,10.04,8.012,29.018,23.028,30]triaconta-2,4(8),6,9,12(29),13,15,24,26,28(30)-decaene is CC(C)(C)c1ccc(-c2nc3cc4c(cc3n2-c2ccccc2)B2c3ccc(C(C)(C)C)c5c3N(c3cc(C(C)(C)C)cc(c32)N4c2ccc3c(c2)C(C)(C)CCC3(C)C)C2(C)CCCCC52C)cc1.

What is the InChIKey of 14,25-ditert-butyl-6-(4-tert-butylphenyl)-18,23-dimethyl-5-phenyl-11-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5,7,11,17-tetraza-1-boraoctacyclo[14.12.1.117,24.02,10.04,8.012,29.018,23.028,30]triaconta-2,4(8),6,9,12(29),13,15,24,26,28(30)-decaene?

The InChIKey is NXKNKEZZJBEIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H75BN4/c1-59(2,3)41-25-23-40(24-26-41)58-67-50-39-51-49(38-52(50)69(58)43-21-17-16-18-22-43)66-48-30-29-46(61(7,8)9)55-57(48)70(65(15)32-20-19-31-64(55,65)14)54-36-42(60(4,5)6)35-53(56(54)66)68(51)44-27-28-45-47(37-44)63(12,13)34-33-62(45,10)11/h16-18,21-30,35-39H,19-20,31-34H2,1-15H3.

What are the key properties of 14,25-ditert-butyl-6-(4-tert-butylphenyl)-18,23-dimethyl-5-phenyl-11-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5,7,11,17-tetraza-1-boraoctacyclo[14.12.1.117,24.02,10.04,8.012,29.018,23.028,30]triaconta-2,4(8),6,9,12(29),13,15,24,26,28(30)-decaene?

14,25-ditert-butyl-6-(4-tert-butylphenyl)-18,23-dimethyl-5-phenyl-11-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5,7,11,17-tetraza-1-boraoctacyclo[14.12.1.117,24.02,10.04,8.012,29.018,23.028,30]triaconta-2,4(8),6,9,12(29),13,15,24,26,28(30)-decaene has a molecular weight of 923.15 g/mol, XLogP of 15.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 14,25-ditert-butyl-6-(4-tert-butylphenyl)-18,23-dimethyl-5-phenyl-11-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5,7,11,17-tetraza-1-boraoctacyclo[14.12.1.117,24.02,10.04,8.012,29.018,23.028,30]triaconta-2,4(8),6,9,12(29),13,15,24,26,28(30)-decaene is sourced from PubChem (CID 163839284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).