14,25-ditert-butyl-6-[4-(4-tert-butylphenyl)phenyl]-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-oxa-7,11,17-triaza-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-(4-tert-butylphenyl)phenyl]-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-phenyl-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-(4-tert-butylphenyl)phenyl]-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-thia-7,11,17-triaza-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

C201H233B3N10OS — CID 163845202

About 14,25-ditert-butyl-6-[4-(4-tert-butylphenyl)phenyl]-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-oxa-7,11,17-triaza-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-(4-tert-butylphenyl)phenyl]-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-phenyl-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-(4-tert-butylphenyl)phenyl]-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-thia-7,11,17-triaza-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-(4-tert-butylphenyl)phenyl]-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-oxa-7,11,17-triaza-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-(4-tert-butylphenyl)phenyl]-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-phenyl-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-(4-tert-butylphenyl)phenyl]-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-thia-7,11,17-triaza-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 163845202) has the molecular formula C201H233B3N10OS and a molecular weight of 2869.65 g/mol. Its IUPAC name is 14,25-ditert-butyl-6-[4-(4-tert-butylphenyl)phenyl]-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-oxa-7,11,17-triaza-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-(4-tert-butylphenyl)phenyl]-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-phenyl-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-(4-tert-butylphenyl)phenyl]-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-thia-7,11,17-triaza-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-(4-tert-butylphenyl)phenyl]-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-oxa-7,11,17-triaza-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-(4-tert-butylphenyl)phenyl]-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-phenyl-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-(4-tert-butylphenyl)phenyl]-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-thia-7,11,17-triaza-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: 163845202
• Molecular Formula: C201H233B3N10OS
• Molecular Weight: 2869.65 g/mol
• Exact Mass: 2867.85
• IUPAC Name: 14,25-ditert-butyl-6-[4-(4-tert-butylphenyl)phenyl]-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-oxa-7,11,17-triaza-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-(4-tert-butylphenyl)phenyl]-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-phenyl-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-(4-tert-butylphenyl)phenyl]-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-thia-7,11,17-triaza-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(-c2ccc(-c3nc4cc5c(cc4n3-c3ccccc3)B3c4ccc(C(C)(C)C)c6c4N(c4cc(C(C)(C)C)cc(c43)N5c3cc(C(C)(C)C)cc(C(C)(C)C)c3)C3(C)CCCCC63C)cc2)cc1.CC(C)(C)c1ccc(-c2ccc(-c3nc4cc5c(cc4o3)B3c4ccc(C(C)(C)C)c6c4N(c4cc(C(C)(C)C)cc(c43)N5c3cc(C(C)(C)C)cc(C(C)(C)C)c3)C3(C)CCCCC63C)cc2)cc1.CC(C)(C)c1ccc(-c2ccc(-c3nc4cc5c(cc4s3)B3c4ccc(C(C)(C)C)c6c4N(c4cc(C(C)(C)C)cc(c43)N5c3cc(C(C)(C)C)cc(C(C)(C)C)c3)C3(C)CCCCC63C)cc2)cc1
• InChI: InChI=1S/C71H81BN4.C65H76BN3O.C65H76BN3S/c1-65(2,3)47-31-29-45(30-32-47)44-25-27-46(28-26-44)64-73-56-43-57-55(42-58(56)75(64)51-23-19-18-20-24-51)72-54-34-33-53(69(13,14)15)61-63(54)76(71(17)36-22-21-35-70(61,71)16)60-41-50(68(10,11)12)40-59(62(60)72)74(57)52-38-48(66(4,5)6)37-49(39-52)67(7,8)9;2*1-59(2,3)42-26-24-40(25-27-42)39-20-22-41(23-21-39)58-67-50-38-51-49(37-54(50)70-58)66-48-29-28-47(63(13,14)15)55-57(48)69(65(17)31-19-18-30-64(55,65)16)53-36-45(62(10,11)12)35-52(56(53)66)68(51)46-33-43(60(4,5)6)32-44(34-46)61(7,8)9/h18-20,23-34,37-43H,21-22,35-36H2,1-17H3;2*20-29,32-38H,18-19,30-31H2,1-17H3
• InChIKey: OPNYGVHFCIGAIZ-UHFFFAOYSA-N
• XLogP: 49.68
• TPSA: 76.18 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2869.65
LogP ≤ 5	49.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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-(4-tert-butylphenyl)phenyl]-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-oxa-7,11,17-triaza-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-(4-tert-butylphenyl)phenyl]-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-phenyl-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-(4-tert-butylphenyl)phenyl]-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-thia-7,11,17-triaza-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-(4-tert-butylphenyl)phenyl]-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-oxa-7,11,17-triaza-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-(4-tert-butylphenyl)phenyl]-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-phenyl-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-(4-tert-butylphenyl)phenyl]-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-thia-7,11,17-triaza-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 163845202) is 14,25-ditert-butyl-6-[4-(4-tert-butylphenyl)phenyl]-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-oxa-7,11,17-triaza-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-(4-tert-butylphenyl)phenyl]-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-phenyl-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-(4-tert-butylphenyl)phenyl]-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-thia-7,11,17-triaza-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-(4-tert-butylphenyl)phenyl]-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-oxa-7,11,17-triaza-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-(4-tert-butylphenyl)phenyl]-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-phenyl-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-(4-tert-butylphenyl)phenyl]-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-thia-7,11,17-triaza-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-(4-tert-butylphenyl)phenyl]-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-oxa-7,11,17-triaza-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-(4-tert-butylphenyl)phenyl]-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-phenyl-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-(4-tert-butylphenyl)phenyl]-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-thia-7,11,17-triaza-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(-c2ccc(-c3nc4cc5c(cc4n3-c3ccccc3)B3c4ccc(C(C)(C)C)c6c4N(c4cc(C(C)(C)C)cc(c43)N5c3cc(C(C)(C)C)cc(C(C)(C)C)c3)C3(C)CCCCC63C)cc2)cc1.CC(C)(C)c1ccc(-c2ccc(-c3nc4cc5c(cc4o3)B3c4ccc(C(C)(C)C)c6c4N(c4cc(C(C)(C)C)cc(c43)N5c3cc(C(C)(C)C)cc(C(C)(C)C)c3)C3(C)CCCCC63C)cc2)cc1.CC(C)(C)c1ccc(-c2ccc(-c3nc4cc5c(cc4s3)B3c4ccc(C(C)(C)C)c6c4N(c4cc(C(C)(C)C)cc(c43)N5c3cc(C(C)(C)C)cc(C(C)(C)C)c3)C3(C)CCCCC63C)cc2)cc1.

What is the InChIKey of 14,25-ditert-butyl-6-[4-(4-tert-butylphenyl)phenyl]-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-oxa-7,11,17-triaza-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-(4-tert-butylphenyl)phenyl]-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-phenyl-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-(4-tert-butylphenyl)phenyl]-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-thia-7,11,17-triaza-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 OPNYGVHFCIGAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H81BN4.C65H76BN3O.C65H76BN3S/c1-65(2,3)47-31-29-45(30-32-47)44-25-27-46(28-26-44)64-73-56-43-57-55(42-58(56)75(64)51-23-19-18-20-24-51)72-54-34-33-53(69(13,14)15)61-63(54)76(71(17)36-22-21-35-70(61,71)16)60-41-50(68(10,11)12)40-59(62(60)72)74(57)52-38-48(66(4,5)6)37-49(39-52)67(7,8)9;2*1-59(2,3)42-26-24-40(25-27-42)39-20-22-41(23-21-39)58-67-50-38-51-49(37-54(50)70-58)66-48-29-28-47(63(13,14)15)55-57(48)69(65(17)31-19-18-30-64(55,65)16)53-36-45(62(10,11)12)35-52(56(53)66)68(51)46-33-43(60(4,5)6)32-44(34-46)61(7,8)9/h18-20,23-34,37-43H,21-22,35-36H2,1-17H3;2*20-29,32-38H,18-19,30-31H2,1-17H3.

What are the key properties of 14,25-ditert-butyl-6-[4-(4-tert-butylphenyl)phenyl]-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-oxa-7,11,17-triaza-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-(4-tert-butylphenyl)phenyl]-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-phenyl-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-(4-tert-butylphenyl)phenyl]-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-thia-7,11,17-triaza-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-(4-tert-butylphenyl)phenyl]-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-oxa-7,11,17-triaza-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-(4-tert-butylphenyl)phenyl]-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-phenyl-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-(4-tert-butylphenyl)phenyl]-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-thia-7,11,17-triaza-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 2869.65 g/mol, XLogP of 49.68, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 14,25-ditert-butyl-6-[4-(4-tert-butylphenyl)phenyl]-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-oxa-7,11,17-triaza-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-(4-tert-butylphenyl)phenyl]-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-phenyl-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-(4-tert-butylphenyl)phenyl]-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-thia-7,11,17-triaza-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 163845202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).