7-tert-butyl-11-(4-tert-butylphenyl)-14,18,23-trimethyl-3-oxa-11,17-diaza-1-boraoctacyclo[14.12.1.117,24.02,10.04,9.012,29.018,23.028,30]triaconta-2(10),4(9),5,7,12(29),13,15,24,26,28(30)-decaene;11,18-ditert-butyl-N,N,8,14-tetraphenyl-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-decaen-5-amine;5,11,18-tritert-butyl-8,14-bis(8-tert-butyldibenzofuran-4-yl)-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

C159H158B3N7O5 — CID 165075030

About 7-tert-butyl-11-(4-tert-butylphenyl)-14,18,23-trimethyl-3-oxa-11,17-diaza-1-boraoctacyclo[14.12.1.117,24.02,10.04,9.012,29.018,23.028,30]triaconta-2(10),4(9),5,7,12(29),13,15,24,26,28(30)-decaene;11,18-ditert-butyl-N,N,8,14-tetraphenyl-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-decaen-5-amine;5,11,18-tritert-butyl-8,14-bis(8-tert-butyldibenzofuran-4-yl)-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

7-tert-butyl-11-(4-tert-butylphenyl)-14,18,23-trimethyl-3-oxa-11,17-diaza-1-boraoctacyclo[14.12.1.117,24.02,10.04,9.012,29.018,23.028,30]triaconta-2(10),4(9),5,7,12(29),13,15,24,26,28(30)-decaene;11,18-ditert-butyl-N,N,8,14-tetraphenyl-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-decaen-5-amine;5,11,18-tritert-butyl-8,14-bis(8-tert-butyldibenzofuran-4-yl)-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 165075030) has the molecular formula C159H158B3N7O5 and a molecular weight of 2279.49 g/mol. Its IUPAC name is 7-tert-butyl-11-(4-tert-butylphenyl)-14,18,23-trimethyl-3-oxa-11,17-diaza-1-boraoctacyclo[14.12.1.117,24.02,10.04,9.012,29.018,23.028,30]triaconta-2(10),4(9),5,7,12(29),13,15,24,26,28(30)-decaene;11,18-ditert-butyl-N,N,8,14-tetraphenyl-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-decaen-5-amine;5,11,18-tritert-butyl-8,14-bis(8-tert-butyldibenzofuran-4-yl)-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: 7-tert-butyl-11-(4-tert-butylphenyl)-14,18,23-trimethyl-3-oxa-11,17-diaza-1-boraoctacyclo[14.12.1.117,24.02,10.04,9.012,29.018,23.028,30]triaconta-2(10),4(9),5,7,12(29),13,15,24,26,28(30)-decaene;11,18-ditert-butyl-N,N,8,14-tetraphenyl-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-decaen-5-amine;5,11,18-tritert-butyl-8,14-bis(8-tert-butyldibenzofuran-4-yl)-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: 165075030
• Molecular Formula: C159H158B3N7O5
• Molecular Weight: 2279.49 g/mol
• Exact Mass: 2278.26
• IUPAC Name: 7-tert-butyl-11-(4-tert-butylphenyl)-14,18,23-trimethyl-3-oxa-11,17-diaza-1-boraoctacyclo[14.12.1.117,24.02,10.04,9.012,29.018,23.028,30]triaconta-2(10),4(9),5,7,12(29),13,15,24,26,28(30)-decaene;11,18-ditert-butyl-N,N,8,14-tetraphenyl-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-decaen-5-amine;5,11,18-tritert-butyl-8,14-bis(8-tert-butyldibenzofuran-4-yl)-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(oc4ccc(C(C)(C)C)cc14)B3c1ccc(N(c3ccccc3)c3ccccc3)cc1N2c1ccccc1.CC(C)(C)c1ccc2c(c1)N(c1cccc3c1oc1ccc(C(C)(C)C)cc13)c1cc(C(C)(C)C)cc3c1B2c1oc2ccc(C(C)(C)C)cc2c1N3c1cccc2c1oc1ccc(C(C)(C)C)cc12.Cc1cc2c3c(c1)N1c4c(cccc4C4(C)CCCCC14C)B3c1oc3ccc(C(C)(C)C)cc3c1N2c1ccc(C(C)(C)C)cc1
• InChI: InChI=1S/C64H65BN2O3.C52H46BN3O.C43H47BN2O/c1-60(2,3)36-23-27-52-43(30-36)41-18-16-20-47(57(41)68-52)66-49-33-39(63(10,11)12)22-26-46(49)65-55-50(66)34-40(64(13,14)15)35-51(55)67(56-45-32-38(62(7,8)9)25-29-54(45)70-59(56)65)48-21-17-19-42-44-31-37(61(4,5)6)24-28-53(44)69-58(42)48;1-51(2,3)35-27-30-47-42(31-35)49-50(57-47)53-43-29-28-41(54(37-19-11-7-12-20-37)38-21-13-8-14-22-38)34-44(43)55(39-23-15-9-16-24-39)45-32-36(52(4,5)6)33-46(48(45)53)56(49)40-25-17-10-18-26-40;1-26-23-33-36-34(24-26)46-38-31(42(8)21-10-11-22-43(42,46)9)13-12-14-32(38)44(36)39-37(30-25-28(41(5,6)7)17-20-35(30)47-39)45(33)29-18-15-27(16-19-29)40(2,3)4/h16-35H,1-15H3;7-34H,1-6H3;12-20,23-25H,10-11,21-22H2,1-9H3
• InChIKey: UDWTXFTUEBPILI-UHFFFAOYSA-N
• XLogP: 39.07
• TPSA: 88.38 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2279.49
LogP ≤ 5	39.07
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 7-tert-butyl-11-(4-tert-butylphenyl)-14,18,23-trimethyl-3-oxa-11,17-diaza-1-boraoctacyclo[14.12.1.117,24.02,10.04,9.012,29.018,23.028,30]triaconta-2(10),4(9),5,7,12(29),13,15,24,26,28(30)-decaene;11,18-ditert-butyl-N,N,8,14-tetraphenyl-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-decaen-5-amine;5,11,18-tritert-butyl-8,14-bis(8-tert-butyldibenzofuran-4-yl)-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 7-tert-butyl-11-(4-tert-butylphenyl)-14,18,23-trimethyl-3-oxa-11,17-diaza-1-boraoctacyclo[14.12.1.117,24.02,10.04,9.012,29.018,23.028,30]triaconta-2(10),4(9),5,7,12(29),13,15,24,26,28(30)-decaene;11,18-ditert-butyl-N,N,8,14-tetraphenyl-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-decaen-5-amine;5,11,18-tritert-butyl-8,14-bis(8-tert-butyldibenzofuran-4-yl)-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 165075030) is 7-tert-butyl-11-(4-tert-butylphenyl)-14,18,23-trimethyl-3-oxa-11,17-diaza-1-boraoctacyclo[14.12.1.117,24.02,10.04,9.012,29.018,23.028,30]triaconta-2(10),4(9),5,7,12(29),13,15,24,26,28(30)-decaene;11,18-ditert-butyl-N,N,8,14-tetraphenyl-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-decaen-5-amine;5,11,18-tritert-butyl-8,14-bis(8-tert-butyldibenzofuran-4-yl)-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 7-tert-butyl-11-(4-tert-butylphenyl)-14,18,23-trimethyl-3-oxa-11,17-diaza-1-boraoctacyclo[14.12.1.117,24.02,10.04,9.012,29.018,23.028,30]triaconta-2(10),4(9),5,7,12(29),13,15,24,26,28(30)-decaene;11,18-ditert-butyl-N,N,8,14-tetraphenyl-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-decaen-5-amine;5,11,18-tritert-butyl-8,14-bis(8-tert-butyldibenzofuran-4-yl)-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 7-tert-butyl-11-(4-tert-butylphenyl)-14,18,23-trimethyl-3-oxa-11,17-diaza-1-boraoctacyclo[14.12.1.117,24.02,10.04,9.012,29.018,23.028,30]triaconta-2(10),4(9),5,7,12(29),13,15,24,26,28(30)-decaene;11,18-ditert-butyl-N,N,8,14-tetraphenyl-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-decaen-5-amine;5,11,18-tritert-butyl-8,14-bis(8-tert-butyldibenzofuran-4-yl)-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(oc4ccc(C(C)(C)C)cc14)B3c1ccc(N(c3ccccc3)c3ccccc3)cc1N2c1ccccc1.CC(C)(C)c1ccc2c(c1)N(c1cccc3c1oc1ccc(C(C)(C)C)cc13)c1cc(C(C)(C)C)cc3c1B2c1oc2ccc(C(C)(C)C)cc2c1N3c1cccc2c1oc1ccc(C(C)(C)C)cc12.Cc1cc2c3c(c1)N1c4c(cccc4C4(C)CCCCC14C)B3c1oc3ccc(C(C)(C)C)cc3c1N2c1ccc(C(C)(C)C)cc1.

What is the InChIKey of 7-tert-butyl-11-(4-tert-butylphenyl)-14,18,23-trimethyl-3-oxa-11,17-diaza-1-boraoctacyclo[14.12.1.117,24.02,10.04,9.012,29.018,23.028,30]triaconta-2(10),4(9),5,7,12(29),13,15,24,26,28(30)-decaene;11,18-ditert-butyl-N,N,8,14-tetraphenyl-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-decaen-5-amine;5,11,18-tritert-butyl-8,14-bis(8-tert-butyldibenzofuran-4-yl)-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 UDWTXFTUEBPILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H65BN2O3.C52H46BN3O.C43H47BN2O/c1-60(2,3)36-23-27-52-43(30-36)41-18-16-20-47(57(41)68-52)66-49-33-39(63(10,11)12)22-26-46(49)65-55-50(66)34-40(64(13,14)15)35-51(55)67(56-45-32-38(62(7,8)9)25-29-54(45)70-59(56)65)48-21-17-19-42-44-31-37(61(4,5)6)24-28-53(44)69-58(42)48;1-51(2,3)35-27-30-47-42(31-35)49-50(57-47)53-43-29-28-41(54(37-19-11-7-12-20-37)38-21-13-8-14-22-38)34-44(43)55(39-23-15-9-16-24-39)45-32-36(52(4,5)6)33-46(48(45)53)56(49)40-25-17-10-18-26-40;1-26-23-33-36-34(24-26)46-38-31(42(8)21-10-11-22-43(42,46)9)13-12-14-32(38)44(36)39-37(30-25-28(41(5,6)7)17-20-35(30)47-39)45(33)29-18-15-27(16-19-29)40(2,3)4/h16-35H,1-15H3;7-34H,1-6H3;12-20,23-25H,10-11,21-22H2,1-9H3.

What are the key properties of 7-tert-butyl-11-(4-tert-butylphenyl)-14,18,23-trimethyl-3-oxa-11,17-diaza-1-boraoctacyclo[14.12.1.117,24.02,10.04,9.012,29.018,23.028,30]triaconta-2(10),4(9),5,7,12(29),13,15,24,26,28(30)-decaene;11,18-ditert-butyl-N,N,8,14-tetraphenyl-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-decaen-5-amine;5,11,18-tritert-butyl-8,14-bis(8-tert-butyldibenzofuran-4-yl)-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?

7-tert-butyl-11-(4-tert-butylphenyl)-14,18,23-trimethyl-3-oxa-11,17-diaza-1-boraoctacyclo[14.12.1.117,24.02,10.04,9.012,29.018,23.028,30]triaconta-2(10),4(9),5,7,12(29),13,15,24,26,28(30)-decaene;11,18-ditert-butyl-N,N,8,14-tetraphenyl-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-decaen-5-amine;5,11,18-tritert-butyl-8,14-bis(8-tert-butyldibenzofuran-4-yl)-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 2279.49 g/mol, XLogP of 39.07, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 7-tert-butyl-11-(4-tert-butylphenyl)-14,18,23-trimethyl-3-oxa-11,17-diaza-1-boraoctacyclo[14.12.1.117,24.02,10.04,9.012,29.018,23.028,30]triaconta-2(10),4(9),5,7,12(29),13,15,24,26,28(30)-decaene;11,18-ditert-butyl-N,N,8,14-tetraphenyl-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-decaen-5-amine;5,11,18-tritert-butyl-8,14-bis(8-tert-butyldibenzofuran-4-yl)-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 165075030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).