5-tert-butyl-8,14-bis(4-tert-butylphenyl)-11-methyl-22-phenyl-8,10,14,22-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16,18,20-decaene;5-tert-butyl-8,14-bis(4-tert-butylphenyl)-11,22,22-trimethyl-4,8,14-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaene;14-tert-butyl-11,17-diphenyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;5,11,18-tritert-butyl-8,14-bis(4-propan-2-ylphenyl)-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene

C185H189B4N11O3 — CID 162236548

About 5-tert-butyl-8,14-bis(4-tert-butylphenyl)-11-methyl-22-phenyl-8,10,14,22-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16,18,20-decaene;5-tert-butyl-8,14-bis(4-tert-butylphenyl)-11,22,22-trimethyl-4,8,14-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaene;14-tert-butyl-11,17-diphenyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;5,11,18-tritert-butyl-8,14-bis(4-propan-2-ylphenyl)-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene

5-tert-butyl-8,14-bis(4-tert-butylphenyl)-11-methyl-22-phenyl-8,10,14,22-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16,18,20-decaene;5-tert-butyl-8,14-bis(4-tert-butylphenyl)-11,22,22-trimethyl-4,8,14-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaene;14-tert-butyl-11,17-diphenyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;5,11,18-tritert-butyl-8,14-bis(4-propan-2-ylphenyl)-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene (PubChem CID 162236548) has the molecular formula C185H189B4N11O3 and a molecular weight of 2657.87 g/mol. Its IUPAC name is 5-tert-butyl-8,14-bis(4-tert-butylphenyl)-11-methyl-22-phenyl-8,10,14,22-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16,18,20-decaene;5-tert-butyl-8,14-bis(4-tert-butylphenyl)-11,22,22-trimethyl-4,8,14-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaene;14-tert-butyl-11,17-diphenyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;5,11,18-tritert-butyl-8,14-bis(4-propan-2-ylphenyl)-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene.

Molecular Properties

• Compound Name: 5-tert-butyl-8,14-bis(4-tert-butylphenyl)-11-methyl-22-phenyl-8,10,14,22-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16,18,20-decaene;5-tert-butyl-8,14-bis(4-tert-butylphenyl)-11,22,22-trimethyl-4,8,14-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaene;14-tert-butyl-11,17-diphenyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;5,11,18-tritert-butyl-8,14-bis(4-propan-2-ylphenyl)-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene
• PubChem CID: 162236548
• Molecular Formula: C185H189B4N11O3
• Molecular Weight: 2657.87 g/mol
• Exact Mass: 2656.53
• IUPAC Name: 5-tert-butyl-8,14-bis(4-tert-butylphenyl)-11-methyl-22-phenyl-8,10,14,22-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16,18,20-decaene;5-tert-butyl-8,14-bis(4-tert-butylphenyl)-11,22,22-trimethyl-4,8,14-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaene;14-tert-butyl-11,17-diphenyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;5,11,18-tritert-butyl-8,14-bis(4-propan-2-ylphenyl)-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene
• SMILES: CC(C)(C)c1cc2c3c(c1)N(c1ccccc1)c1c(oc4ccccc14)B3c1oc3ccccc3c1N2c1ccccc1.CC(C)c1ccc(N2c3cc(C(C)(C)C)ccc3B3c4oc5ccc(C(C)(C)C)cc5c4N(c4ccc(C(C)C)cc4)c4cc(C(C)(C)C)cc2c43)cc1.Cc1cc2c3c(c1)N(c1ccc(C(C)(C)C)cc1)c1cc(C(C)(C)C)ncc1B3C1=C(c3ccccc3C1(C)C)N2c1ccc(C(C)(C)C)cc1.Cc1cc2c3c(n1)N(c1ccc(C(C)(C)C)cc1)c1cc(C(C)(C)C)ccc1B3c1c(c3ccccc3n1-c1ccccc1)N2c1ccc(C(C)(C)C)cc1
• InChI: InChI=1S/C50H51BN4.C50H57BN2O.C47H52BN3.C38H29BN2O2/c1-32-30-43-44-47(52-32)55(38-27-22-34(23-28-38)49(5,6)7)42-31-35(50(8,9)10)24-29-40(42)51(44)46-45(53(43)37-25-20-33(21-26-37)48(2,3)4)39-18-14-15-19-41(39)54(46)36-16-12-11-13-17-36;1-30(2)32-14-20-37(21-15-32)52-41-27-35(49(8,9)10)18-24-40(41)51-45-42(52)28-36(50(11,12)13)29-43(45)53(38-22-16-33(17-23-38)31(3)4)46-39-26-34(48(5,6)7)19-25-44(39)54-47(46)51;1-29-25-38-41-39(26-29)51(33-23-19-31(20-24-33)45(5,6)7)42-34-15-13-14-16-35(34)47(11,12)43(42)48(41)36-28-49-40(46(8,9)10)27-37(36)50(38)32-21-17-30(18-22-32)44(2,3)4;1-38(2,3)24-22-29-33-30(23-24)41(26-16-8-5-9-17-26)35-28-19-11-13-21-32(28)43-37(35)39(33)36-34(27-18-10-12-20-31(27)42-36)40(29)25-14-6-4-7-15-25/h11-31H,1-10H3;14-31H,1-13H3;13-28H,1-12H3;4-23H,1-3H3
• InChIKey: ZWDDUCMPCFHVGZ-UHFFFAOYSA-N
• XLogP: 43.59
• TPSA: 96.05 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2657.87
LogP ≤ 5	43.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-8,14-bis(4-tert-butylphenyl)-11-methyl-22-phenyl-8,10,14,22-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16,18,20-decaene;5-tert-butyl-8,14-bis(4-tert-butylphenyl)-11,22,22-trimethyl-4,8,14-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaene;14-tert-butyl-11,17-diphenyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;5,11,18-tritert-butyl-8,14-bis(4-propan-2-ylphenyl)-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene?

The IUPAC name of 5-tert-butyl-8,14-bis(4-tert-butylphenyl)-11-methyl-22-phenyl-8,10,14,22-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16,18,20-decaene;5-tert-butyl-8,14-bis(4-tert-butylphenyl)-11,22,22-trimethyl-4,8,14-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaene;14-tert-butyl-11,17-diphenyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;5,11,18-tritert-butyl-8,14-bis(4-propan-2-ylphenyl)-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene (CID 162236548) is 5-tert-butyl-8,14-bis(4-tert-butylphenyl)-11-methyl-22-phenyl-8,10,14,22-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16,18,20-decaene;5-tert-butyl-8,14-bis(4-tert-butylphenyl)-11,22,22-trimethyl-4,8,14-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaene;14-tert-butyl-11,17-diphenyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;5,11,18-tritert-butyl-8,14-bis(4-propan-2-ylphenyl)-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene.

What is the SMILES notation for 5-tert-butyl-8,14-bis(4-tert-butylphenyl)-11-methyl-22-phenyl-8,10,14,22-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16,18,20-decaene;5-tert-butyl-8,14-bis(4-tert-butylphenyl)-11,22,22-trimethyl-4,8,14-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaene;14-tert-butyl-11,17-diphenyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;5,11,18-tritert-butyl-8,14-bis(4-propan-2-ylphenyl)-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene?

The canonical SMILES for 5-tert-butyl-8,14-bis(4-tert-butylphenyl)-11-methyl-22-phenyl-8,10,14,22-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16,18,20-decaene;5-tert-butyl-8,14-bis(4-tert-butylphenyl)-11,22,22-trimethyl-4,8,14-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaene;14-tert-butyl-11,17-diphenyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;5,11,18-tritert-butyl-8,14-bis(4-propan-2-ylphenyl)-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene is CC(C)(C)c1cc2c3c(c1)N(c1ccccc1)c1c(oc4ccccc14)B3c1oc3ccccc3c1N2c1ccccc1.CC(C)c1ccc(N2c3cc(C(C)(C)C)ccc3B3c4oc5ccc(C(C)(C)C)cc5c4N(c4ccc(C(C)C)cc4)c4cc(C(C)(C)C)cc2c43)cc1.Cc1cc2c3c(c1)N(c1ccc(C(C)(C)C)cc1)c1cc(C(C)(C)C)ncc1B3C1=C(c3ccccc3C1(C)C)N2c1ccc(C(C)(C)C)cc1.Cc1cc2c3c(n1)N(c1ccc(C(C)(C)C)cc1)c1cc(C(C)(C)C)ccc1B3c1c(c3ccccc3n1-c1ccccc1)N2c1ccc(C(C)(C)C)cc1.

What is the InChIKey of 5-tert-butyl-8,14-bis(4-tert-butylphenyl)-11-methyl-22-phenyl-8,10,14,22-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16,18,20-decaene;5-tert-butyl-8,14-bis(4-tert-butylphenyl)-11,22,22-trimethyl-4,8,14-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaene;14-tert-butyl-11,17-diphenyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;5,11,18-tritert-butyl-8,14-bis(4-propan-2-ylphenyl)-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene?

The InChIKey is ZWDDUCMPCFHVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H51BN4.C50H57BN2O.C47H52BN3.C38H29BN2O2/c1-32-30-43-44-47(52-32)55(38-27-22-34(23-28-38)49(5,6)7)42-31-35(50(8,9)10)24-29-40(42)51(44)46-45(53(43)37-25-20-33(21-26-37)48(2,3)4)39-18-14-15-19-41(39)54(46)36-16-12-11-13-17-36;1-30(2)32-14-20-37(21-15-32)52-41-27-35(49(8,9)10)18-24-40(41)51-45-42(52)28-36(50(11,12)13)29-43(45)53(38-22-16-33(17-23-38)31(3)4)46-39-26-34(48(5,6)7)19-25-44(39)54-47(46)51;1-29-25-38-41-39(26-29)51(33-23-19-31(20-24-33)45(5,6)7)42-34-15-13-14-16-35(34)47(11,12)43(42)48(41)36-28-49-40(46(8,9)10)27-37(36)50(38)32-21-17-30(18-22-32)44(2,3)4;1-38(2,3)24-22-29-33-30(23-24)41(26-16-8-5-9-17-26)35-28-19-11-13-21-32(28)43-37(35)39(33)36-34(27-18-10-12-20-31(27)42-36)40(29)25-14-6-4-7-15-25/h11-31H,1-10H3;14-31H,1-13H3;13-28H,1-12H3;4-23H,1-3H3.

What are the key properties of 5-tert-butyl-8,14-bis(4-tert-butylphenyl)-11-methyl-22-phenyl-8,10,14,22-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16,18,20-decaene;5-tert-butyl-8,14-bis(4-tert-butylphenyl)-11,22,22-trimethyl-4,8,14-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaene;14-tert-butyl-11,17-diphenyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;5,11,18-tritert-butyl-8,14-bis(4-propan-2-ylphenyl)-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene?

5-tert-butyl-8,14-bis(4-tert-butylphenyl)-11-methyl-22-phenyl-8,10,14,22-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16,18,20-decaene;5-tert-butyl-8,14-bis(4-tert-butylphenyl)-11,22,22-trimethyl-4,8,14-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaene;14-tert-butyl-11,17-diphenyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;5,11,18-tritert-butyl-8,14-bis(4-propan-2-ylphenyl)-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene has a molecular weight of 2657.87 g/mol, XLogP of 43.59, 11 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-8,14-bis(4-tert-butylphenyl)-11-methyl-22-phenyl-8,10,14,22-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16,18,20-decaene;5-tert-butyl-8,14-bis(4-tert-butylphenyl)-11,22,22-trimethyl-4,8,14-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaene;14-tert-butyl-11,17-diphenyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;5,11,18-tritert-butyl-8,14-bis(4-propan-2-ylphenyl)-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene is sourced from PubChem (CID 162236548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).