18-tert-butyl-14-(4-tert-butylphenyl)-3,4,5,6-tetradeuterio-8-(3,5-ditert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N,N-bis(2,3,4,5,6-pentadeuteriophenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;4,18-ditert-butyl-8,14-bis(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-3,5,6,10,12,16,17,19-octadeuterio-N-naphthalen-2-yl-N-(3-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;4,18-ditert-butyl-8-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-14-(4-tert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

C226H244B4N10 — CID 159677752

About 18-tert-butyl-14-(4-tert-butylphenyl)-3,4,5,6-tetradeuterio-8-(3,5-ditert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N,N-bis(2,3,4,5,6-pentadeuteriophenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;4,18-ditert-butyl-8,14-bis(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-3,5,6,10,12,16,17,19-octadeuterio-N-naphthalen-2-yl-N-(3-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;4,18-ditert-butyl-8-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-14-(4-tert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

18-tert-butyl-14-(4-tert-butylphenyl)-3,4,5,6-tetradeuterio-8-(3,5-ditert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N,N-bis(2,3,4,5,6-pentadeuteriophenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;4,18-ditert-butyl-8,14-bis(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-3,5,6,10,12,16,17,19-octadeuterio-N-naphthalen-2-yl-N-(3-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;4,18-ditert-butyl-8-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-14-(4-tert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (PubChem CID 159677752) has the molecular formula C226H244B4N10 and a molecular weight of 3178.97 g/mol. Its IUPAC name is 18-tert-butyl-14-(4-tert-butylphenyl)-3,4,5,6-tetradeuterio-8-(3,5-ditert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N,N-bis(2,3,4,5,6-pentadeuteriophenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;4,18-ditert-butyl-8,14-bis(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-3,5,6,10,12,16,17,19-octadeuterio-N-naphthalen-2-yl-N-(3-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;4,18-ditert-butyl-8-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-14-(4-tert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.

Molecular Properties

• Compound Name: 18-tert-butyl-14-(4-tert-butylphenyl)-3,4,5,6-tetradeuterio-8-(3,5-ditert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N,N-bis(2,3,4,5,6-pentadeuteriophenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;4,18-ditert-butyl-8,14-bis(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-3,5,6,10,12,16,17,19-octadeuterio-N-naphthalen-2-yl-N-(3-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;4,18-ditert-butyl-8-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-14-(4-tert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
• PubChem CID: 159677752
• Molecular Formula: C226H244B4N10
• Molecular Weight: 3178.97 g/mol
• Exact Mass: 3177.20
• IUPAC Name: 18-tert-butyl-14-(4-tert-butylphenyl)-3,4,5,6-tetradeuterio-8-(3,5-ditert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N,N-bis(2,3,4,5,6-pentadeuteriophenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;4,18-ditert-butyl-8,14-bis(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-3,5,6,10,12,16,17,19-octadeuterio-N-naphthalen-2-yl-N-(3-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;4,18-ditert-butyl-8-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-14-(4-tert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
• SMILES: [2H]c1c([2H])c(C(C)(C)C)c([2H])c([2H])c1N1c2c([2H])c([2H])c(C(C)(C)C)c([2H])c2B2c3c([2H])c(C(C)(C)C)c([2H])c([2H])c3N(c3c([2H])c([2H])c(C(C)(C)C)c([2H])c3[2H])c3c([2H])c(N(c4cccc(-c5ccccc5)c4)c4ccc5ccccc5c4)c([2H])c1c32.[2H]c1c([2H])c([2H])c(-c2cc(C(C)(C)C)ccc2N2c3ccc(C(C)(C)C)cc3B3c4cc(C(C)(C)C)ccc4N(c4ccc(C(C)(C)C)cc4)c4cc(C)cc2c43)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(N(c2cc3c4c(c2)N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2B4c2cc(C(C)(C)C)ccc2N3c2ccc(C(C)(C)C)cc2)c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])B1c3cc(C(C)(C)C)ccc3N(c3ccc(C(C)(C)C)cc3)c3cc(C)cc(c31)N2c1cc(C(C)(C)C)cc(C(C)(C)C)c1
• InChI: InChI=1S/C68H68BN3.C58H62BN3.C53H59BN2.C47H55BN2/c1-65(2,3)49-26-33-53(34-27-49)71-60-37-30-51(67(7,8)9)41-58(60)69-59-42-52(68(10,11)12)31-38-61(59)72(54-35-28-50(29-36-54)66(4,5)6)63-44-57(43-62(71)64(63)69)70(56-32-25-46-21-16-17-22-47(46)40-56)55-24-18-23-48(39-55)45-19-14-13-15-20-45;1-55(2,3)39-23-29-45(30-24-39)61-50-33-27-41(57(7,8)9)35-48(50)59-49-36-42(58(10,11)12)28-34-51(49)62(46-31-25-40(26-32-46)56(4,5)6)53-38-47(37-52(61)54(53)59)60(43-19-15-13-16-20-43)44-21-17-14-18-22-44;1-34-29-47-49-48(30-34)56(44-26-21-37(51(5,6)7)31-41(44)35-17-15-14-16-18-35)46-28-23-39(53(11,12)13)33-43(46)54(49)42-32-38(52(8,9)10)22-27-45(42)55(47)40-24-19-36(20-25-40)50(2,3)4;1-30-24-41-43-42(25-30)50(36-27-33(46(8,9)10)26-34(28-36)47(11,12)13)39-17-15-14-16-37(39)48(43)38-29-32(45(5,6)7)20-23-40(38)49(41)35-21-18-31(19-22-35)44(2,3)4/h13-44H,1-12H3;13-38H,1-12H3;14-33H,1-13H3;14-29H,1-13H3/i26D,27D,28D,29D,30D,31D,33D,34D,35D,36D,37D,38D,41D,42D,43D,44D;13D,14D,15D,16D,17D,18D,19D,20D,21D,22D;14D,15D,16D,17D,18D;14D,15D,16D,17D
• InChIKey: MUVCGIKCQWCKTB-JFLPCFKXSA-N
• XLogP: 55.88
• TPSA: 32.40 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 240
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3178.97
LogP ≤ 5	55.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 18-tert-butyl-14-(4-tert-butylphenyl)-3,4,5,6-tetradeuterio-8-(3,5-ditert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N,N-bis(2,3,4,5,6-pentadeuteriophenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;4,18-ditert-butyl-8,14-bis(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-3,5,6,10,12,16,17,19-octadeuterio-N-naphthalen-2-yl-N-(3-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;4,18-ditert-butyl-8-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-14-(4-tert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

The IUPAC name of 18-tert-butyl-14-(4-tert-butylphenyl)-3,4,5,6-tetradeuterio-8-(3,5-ditert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N,N-bis(2,3,4,5,6-pentadeuteriophenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;4,18-ditert-butyl-8,14-bis(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-3,5,6,10,12,16,17,19-octadeuterio-N-naphthalen-2-yl-N-(3-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;4,18-ditert-butyl-8-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-14-(4-tert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (CID 159677752) is 18-tert-butyl-14-(4-tert-butylphenyl)-3,4,5,6-tetradeuterio-8-(3,5-ditert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N,N-bis(2,3,4,5,6-pentadeuteriophenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;4,18-ditert-butyl-8,14-bis(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-3,5,6,10,12,16,17,19-octadeuterio-N-naphthalen-2-yl-N-(3-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;4,18-ditert-butyl-8-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-14-(4-tert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.

What is the SMILES notation for 18-tert-butyl-14-(4-tert-butylphenyl)-3,4,5,6-tetradeuterio-8-(3,5-ditert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N,N-bis(2,3,4,5,6-pentadeuteriophenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;4,18-ditert-butyl-8,14-bis(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-3,5,6,10,12,16,17,19-octadeuterio-N-naphthalen-2-yl-N-(3-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;4,18-ditert-butyl-8-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-14-(4-tert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

The canonical SMILES for 18-tert-butyl-14-(4-tert-butylphenyl)-3,4,5,6-tetradeuterio-8-(3,5-ditert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N,N-bis(2,3,4,5,6-pentadeuteriophenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;4,18-ditert-butyl-8,14-bis(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-3,5,6,10,12,16,17,19-octadeuterio-N-naphthalen-2-yl-N-(3-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;4,18-ditert-butyl-8-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-14-(4-tert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is [2H]c1c([2H])c(C(C)(C)C)c([2H])c([2H])c1N1c2c([2H])c([2H])c(C(C)(C)C)c([2H])c2B2c3c([2H])c(C(C)(C)C)c([2H])c([2H])c3N(c3c([2H])c([2H])c(C(C)(C)C)c([2H])c3[2H])c3c([2H])c(N(c4cccc(-c5ccccc5)c4)c4ccc5ccccc5c4)c([2H])c1c32.[2H]c1c([2H])c([2H])c(-c2cc(C(C)(C)C)ccc2N2c3ccc(C(C)(C)C)cc3B3c4cc(C(C)(C)C)ccc4N(c4ccc(C(C)(C)C)cc4)c4cc(C)cc2c43)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(N(c2cc3c4c(c2)N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2B4c2cc(C(C)(C)C)ccc2N3c2ccc(C(C)(C)C)cc2)c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])B1c3cc(C(C)(C)C)ccc3N(c3ccc(C(C)(C)C)cc3)c3cc(C)cc(c31)N2c1cc(C(C)(C)C)cc(C(C)(C)C)c1.

What is the InChIKey of 18-tert-butyl-14-(4-tert-butylphenyl)-3,4,5,6-tetradeuterio-8-(3,5-ditert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N,N-bis(2,3,4,5,6-pentadeuteriophenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;4,18-ditert-butyl-8,14-bis(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-3,5,6,10,12,16,17,19-octadeuterio-N-naphthalen-2-yl-N-(3-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;4,18-ditert-butyl-8-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-14-(4-tert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

The InChIKey is MUVCGIKCQWCKTB-JFLPCFKXSA-N. The full InChI is InChI=1S/C68H68BN3.C58H62BN3.C53H59BN2.C47H55BN2/c1-65(2,3)49-26-33-53(34-27-49)71-60-37-30-51(67(7,8)9)41-58(60)69-59-42-52(68(10,11)12)31-38-61(59)72(54-35-28-50(29-36-54)66(4,5)6)63-44-57(43-62(71)64(63)69)70(56-32-25-46-21-16-17-22-47(46)40-56)55-24-18-23-48(39-55)45-19-14-13-15-20-45;1-55(2,3)39-23-29-45(30-24-39)61-50-33-27-41(57(7,8)9)35-48(50)59-49-36-42(58(10,11)12)28-34-51(49)62(46-31-25-40(26-32-46)56(4,5)6)53-38-47(37-52(61)54(53)59)60(43-19-15-13-16-20-43)44-21-17-14-18-22-44;1-34-29-47-49-48(30-34)56(44-26-21-37(51(5,6)7)31-41(44)35-17-15-14-16-18-35)46-28-23-39(53(11,12)13)33-43(46)54(49)42-32-38(52(8,9)10)22-27-45(42)55(47)40-24-19-36(20-25-40)50(2,3)4;1-30-24-41-43-42(25-30)50(36-27-33(46(8,9)10)26-34(28-36)47(11,12)13)39-17-15-14-16-37(39)48(43)38-29-32(45(5,6)7)20-23-40(38)49(41)35-21-18-31(19-22-35)44(2,3)4/h13-44H,1-12H3;13-38H,1-12H3;14-33H,1-13H3;14-29H,1-13H3/i26D,27D,28D,29D,30D,31D,33D,34D,35D,36D,37D,38D,41D,42D,43D,44D;13D,14D,15D,16D,17D,18D,19D,20D,21D,22D;14D,15D,16D,17D,18D;14D,15D,16D,17D.

What are the key properties of 18-tert-butyl-14-(4-tert-butylphenyl)-3,4,5,6-tetradeuterio-8-(3,5-ditert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N,N-bis(2,3,4,5,6-pentadeuteriophenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;4,18-ditert-butyl-8,14-bis(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-3,5,6,10,12,16,17,19-octadeuterio-N-naphthalen-2-yl-N-(3-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;4,18-ditert-butyl-8-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-14-(4-tert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

18-tert-butyl-14-(4-tert-butylphenyl)-3,4,5,6-tetradeuterio-8-(3,5-ditert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N,N-bis(2,3,4,5,6-pentadeuteriophenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;4,18-ditert-butyl-8,14-bis(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-3,5,6,10,12,16,17,19-octadeuterio-N-naphthalen-2-yl-N-(3-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;4,18-ditert-butyl-8-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-14-(4-tert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene has a molecular weight of 3178.97 g/mol, XLogP of 55.88, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 18-tert-butyl-14-(4-tert-butylphenyl)-3,4,5,6-tetradeuterio-8-(3,5-ditert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N,N-bis(2,3,4,5,6-pentadeuteriophenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;4,18-ditert-butyl-8,14-bis(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-3,5,6,10,12,16,17,19-octadeuterio-N-naphthalen-2-yl-N-(3-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;4,18-ditert-butyl-8-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-14-(4-tert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is sourced from PubChem (CID 159677752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).