27-tert-butyl-N,N-bis(4-tert-butylphenyl)-9-(4-tert-butyl-2-phenylphenyl)-12-methyl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(28),3(8),4,6,10,12,14(30),16(24),18,20,22,25(29),26-tridecaen-6-amine;14-tert-butyl-21,21,24,24,31-pentamethyl-28-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-thia-2,28-diaza-17-boranonacyclo[15.15.1.12,12.03,11.05,10.018,27.020,25.029,33.016,34]tetratriaconta-1(33),3(11),5,7,9,12(34),13,15,18,20(25),26,29,31-tridecaene;6,27-ditert-butyl-9-dibenzofuran-1-yl-12-methyl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(28),3(8),4,6,10,12,14(30),16(24),18,20,22,25(29),26-tridecaene;6,27-ditert-butyl-9-dibenzofuran-4-yl-12-methyl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(28),3(8),4,6,10,12,14(30),16(24),18,20,22,25(29),26-tridecaene

C214H201B4N9O2S4 — CID 164947157

About 27-tert-butyl-N,N-bis(4-tert-butylphenyl)-9-(4-tert-butyl-2-phenylphenyl)-12-methyl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(28),3(8),4,6,10,12,14(30),16(24),18,20,22,25(29),26-tridecaen-6-amine;14-tert-butyl-21,21,24,24,31-pentamethyl-28-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-thia-2,28-diaza-17-boranonacyclo[15.15.1.12,12.03,11.05,10.018,27.020,25.029,33.016,34]tetratriaconta-1(33),3(11),5,7,9,12(34),13,15,18,20(25),26,29,31-tridecaene;6,27-ditert-butyl-9-dibenzofuran-1-yl-12-methyl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(28),3(8),4,6,10,12,14(30),16(24),18,20,22,25(29),26-tridecaene;6,27-ditert-butyl-9-dibenzofuran-4-yl-12-methyl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(28),3(8),4,6,10,12,14(30),16(24),18,20,22,25(29),26-tridecaene

27-tert-butyl-N,N-bis(4-tert-butylphenyl)-9-(4-tert-butyl-2-phenylphenyl)-12-methyl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(28),3(8),4,6,10,12,14(30),16(24),18,20,22,25(29),26-tridecaen-6-amine;14-tert-butyl-21,21,24,24,31-pentamethyl-28-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-thia-2,28-diaza-17-boranonacyclo[15.15.1.12,12.03,11.05,10.018,27.020,25.029,33.016,34]tetratriaconta-1(33),3(11),5,7,9,12(34),13,15,18,20(25),26,29,31-tridecaene;6,27-ditert-butyl-9-dibenzofuran-1-yl-12-methyl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(28),3(8),4,6,10,12,14(30),16(24),18,20,22,25(29),26-tridecaene;6,27-ditert-butyl-9-dibenzofuran-4-yl-12-methyl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(28),3(8),4,6,10,12,14(30),16(24),18,20,22,25(29),26-tridecaene (PubChem CID 164947157) has the molecular formula C214H201B4N9O2S4 and a molecular weight of 3102.54 g/mol. Its IUPAC name is 27-tert-butyl-N,N-bis(4-tert-butylphenyl)-9-(4-tert-butyl-2-phenylphenyl)-12-methyl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(28),3(8),4,6,10,12,14(30),16(24),18,20,22,25(29),26-tridecaen-6-amine;14-tert-butyl-21,21,24,24,31-pentamethyl-28-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-thia-2,28-diaza-17-boranonacyclo[15.15.1.12,12.03,11.05,10.018,27.020,25.029,33.016,34]tetratriaconta-1(33),3(11),5,7,9,12(34),13,15,18,20(25),26,29,31-tridecaene;6,27-ditert-butyl-9-dibenzofuran-1-yl-12-methyl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(28),3(8),4,6,10,12,14(30),16(24),18,20,22,25(29),26-tridecaene;6,27-ditert-butyl-9-dibenzofuran-4-yl-12-methyl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(28),3(8),4,6,10,12,14(30),16(24),18,20,22,25(29),26-tridecaene.

Molecular Properties

• Compound Name: 27-tert-butyl-N,N-bis(4-tert-butylphenyl)-9-(4-tert-butyl-2-phenylphenyl)-12-methyl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(28),3(8),4,6,10,12,14(30),16(24),18,20,22,25(29),26-tridecaen-6-amine;14-tert-butyl-21,21,24,24,31-pentamethyl-28-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-thia-2,28-diaza-17-boranonacyclo[15.15.1.12,12.03,11.05,10.018,27.020,25.029,33.016,34]tetratriaconta-1(33),3(11),5,7,9,12(34),13,15,18,20(25),26,29,31-tridecaene;6,27-ditert-butyl-9-dibenzofuran-1-yl-12-methyl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(28),3(8),4,6,10,12,14(30),16(24),18,20,22,25(29),26-tridecaene;6,27-ditert-butyl-9-dibenzofuran-4-yl-12-methyl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(28),3(8),4,6,10,12,14(30),16(24),18,20,22,25(29),26-tridecaene
• PubChem CID: 164947157
• Molecular Formula: C214H201B4N9O2S4
• Molecular Weight: 3102.54 g/mol
• Exact Mass: 3100.52
• IUPAC Name: 27-tert-butyl-N,N-bis(4-tert-butylphenyl)-9-(4-tert-butyl-2-phenylphenyl)-12-methyl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(28),3(8),4,6,10,12,14(30),16(24),18,20,22,25(29),26-tridecaen-6-amine;14-tert-butyl-21,21,24,24,31-pentamethyl-28-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-thia-2,28-diaza-17-boranonacyclo[15.15.1.12,12.03,11.05,10.018,27.020,25.029,33.016,34]tetratriaconta-1(33),3(11),5,7,9,12(34),13,15,18,20(25),26,29,31-tridecaene;6,27-ditert-butyl-9-dibenzofuran-1-yl-12-methyl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(28),3(8),4,6,10,12,14(30),16(24),18,20,22,25(29),26-tridecaene;6,27-ditert-butyl-9-dibenzofuran-4-yl-12-methyl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(28),3(8),4,6,10,12,14(30),16(24),18,20,22,25(29),26-tridecaene
• SMILES: Cc1cc2c3c(c1)-n1c4sc5ccccc5c4c4cc(C(C)(C)C)cc(c41)B3c1cc3c(cc1N2c1ccc2c(c1)C(C)(C)CCC2(C)C)C(C)(C)CCC3(C)C.Cc1cc2c3c(c1)-n1c4sc5ccccc5c4c4cc(C(C)(C)C)cc(c41)B3c1ccc(C(C)(C)C)cc1N2c1cccc2c1oc1ccccc12.Cc1cc2c3c(c1)-n1c4sc5ccccc5c4c4cc(C(C)(C)C)cc(c41)B3c1ccc(C(C)(C)C)cc1N2c1cccc2oc3ccccc3c12.Cc1cc2c3c(c1)-n1c4sc5ccccc5c4c4cc(C(C)(C)C)cc(c41)B3c1ccc(N(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)cc1N2c1ccc(C(C)(C)C)cc1-c1ccccc1
• InChI: InChI=1S/C67H66BN3S.C53H57BN2S.2C47H39BN2OS/c1-41-35-57-61-58(36-41)71-62-52(60-50-21-17-18-22-59(50)72-63(60)71)38-46(67(11,12)13)39-54(62)68(61)53-33-32-49(40-56(53)70(57)55-34-27-45(66(8,9)10)37-51(55)42-19-15-14-16-20-42)69(47-28-23-43(24-29-47)64(2,3)4)48-30-25-44(26-31-48)65(5,6)7;1-30-23-42-46-43(24-30)56-47-34(45-33-15-13-14-16-44(33)57-48(45)56)25-31(49(2,3)4)26-40(47)54(46)39-28-37-38(53(11,12)22-21-52(37,9)10)29-41(39)55(42)32-17-18-35-36(27-32)51(7,8)20-19-50(35,5)6;1-26-21-37-42-38(22-26)50-43-32(41-31-14-9-11-18-40(31)52-45(41)50)23-28(47(5,6)7)24-34(43)48(42)33-20-19-27(46(2,3)4)25-36(33)49(37)35-16-12-15-30-29-13-8-10-17-39(29)51-44(30)35;1-26-21-36-43-37(22-26)50-44-31(41-30-14-9-11-18-40(30)52-45(41)50)23-28(47(5,6)7)24-33(44)48(43)32-20-19-27(46(2,3)4)25-35(32)49(36)34-15-12-17-39-42(34)29-13-8-10-16-38(29)51-39/h14-40H,1-13H3;13-18,23-29H,19-22H2,1-12H3;2*8-25H,1-7H3
• InChIKey: AASFFOSIRXSNGY-UHFFFAOYSA-N
• XLogP: 52.99
• TPSA: 62.20 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 233
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3102.54
LogP ≤ 5	52.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 27-tert-butyl-N,N-bis(4-tert-butylphenyl)-9-(4-tert-butyl-2-phenylphenyl)-12-methyl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(28),3(8),4,6,10,12,14(30),16(24),18,20,22,25(29),26-tridecaen-6-amine;14-tert-butyl-21,21,24,24,31-pentamethyl-28-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-thia-2,28-diaza-17-boranonacyclo[15.15.1.12,12.03,11.05,10.018,27.020,25.029,33.016,34]tetratriaconta-1(33),3(11),5,7,9,12(34),13,15,18,20(25),26,29,31-tridecaene;6,27-ditert-butyl-9-dibenzofuran-1-yl-12-methyl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(28),3(8),4,6,10,12,14(30),16(24),18,20,22,25(29),26-tridecaene;6,27-ditert-butyl-9-dibenzofuran-4-yl-12-methyl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(28),3(8),4,6,10,12,14(30),16(24),18,20,22,25(29),26-tridecaene?

The IUPAC name of 27-tert-butyl-N,N-bis(4-tert-butylphenyl)-9-(4-tert-butyl-2-phenylphenyl)-12-methyl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(28),3(8),4,6,10,12,14(30),16(24),18,20,22,25(29),26-tridecaen-6-amine;14-tert-butyl-21,21,24,24,31-pentamethyl-28-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-thia-2,28-diaza-17-boranonacyclo[15.15.1.12,12.03,11.05,10.018,27.020,25.029,33.016,34]tetratriaconta-1(33),3(11),5,7,9,12(34),13,15,18,20(25),26,29,31-tridecaene;6,27-ditert-butyl-9-dibenzofuran-1-yl-12-methyl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(28),3(8),4,6,10,12,14(30),16(24),18,20,22,25(29),26-tridecaene;6,27-ditert-butyl-9-dibenzofuran-4-yl-12-methyl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(28),3(8),4,6,10,12,14(30),16(24),18,20,22,25(29),26-tridecaene (CID 164947157) is 27-tert-butyl-N,N-bis(4-tert-butylphenyl)-9-(4-tert-butyl-2-phenylphenyl)-12-methyl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(28),3(8),4,6,10,12,14(30),16(24),18,20,22,25(29),26-tridecaen-6-amine;14-tert-butyl-21,21,24,24,31-pentamethyl-28-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-thia-2,28-diaza-17-boranonacyclo[15.15.1.12,12.03,11.05,10.018,27.020,25.029,33.016,34]tetratriaconta-1(33),3(11),5,7,9,12(34),13,15,18,20(25),26,29,31-tridecaene;6,27-ditert-butyl-9-dibenzofuran-1-yl-12-methyl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(28),3(8),4,6,10,12,14(30),16(24),18,20,22,25(29),26-tridecaene;6,27-ditert-butyl-9-dibenzofuran-4-yl-12-methyl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(28),3(8),4,6,10,12,14(30),16(24),18,20,22,25(29),26-tridecaene.

What is the SMILES notation for 27-tert-butyl-N,N-bis(4-tert-butylphenyl)-9-(4-tert-butyl-2-phenylphenyl)-12-methyl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(28),3(8),4,6,10,12,14(30),16(24),18,20,22,25(29),26-tridecaen-6-amine;14-tert-butyl-21,21,24,24,31-pentamethyl-28-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-thia-2,28-diaza-17-boranonacyclo[15.15.1.12,12.03,11.05,10.018,27.020,25.029,33.016,34]tetratriaconta-1(33),3(11),5,7,9,12(34),13,15,18,20(25),26,29,31-tridecaene;6,27-ditert-butyl-9-dibenzofuran-1-yl-12-methyl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(28),3(8),4,6,10,12,14(30),16(24),18,20,22,25(29),26-tridecaene;6,27-ditert-butyl-9-dibenzofuran-4-yl-12-methyl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(28),3(8),4,6,10,12,14(30),16(24),18,20,22,25(29),26-tridecaene?

The canonical SMILES for 27-tert-butyl-N,N-bis(4-tert-butylphenyl)-9-(4-tert-butyl-2-phenylphenyl)-12-methyl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(28),3(8),4,6,10,12,14(30),16(24),18,20,22,25(29),26-tridecaen-6-amine;14-tert-butyl-21,21,24,24,31-pentamethyl-28-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-thia-2,28-diaza-17-boranonacyclo[15.15.1.12,12.03,11.05,10.018,27.020,25.029,33.016,34]tetratriaconta-1(33),3(11),5,7,9,12(34),13,15,18,20(25),26,29,31-tridecaene;6,27-ditert-butyl-9-dibenzofuran-1-yl-12-methyl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(28),3(8),4,6,10,12,14(30),16(24),18,20,22,25(29),26-tridecaene;6,27-ditert-butyl-9-dibenzofuran-4-yl-12-methyl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(28),3(8),4,6,10,12,14(30),16(24),18,20,22,25(29),26-tridecaene is Cc1cc2c3c(c1)-n1c4sc5ccccc5c4c4cc(C(C)(C)C)cc(c41)B3c1cc3c(cc1N2c1ccc2c(c1)C(C)(C)CCC2(C)C)C(C)(C)CCC3(C)C.Cc1cc2c3c(c1)-n1c4sc5ccccc5c4c4cc(C(C)(C)C)cc(c41)B3c1ccc(C(C)(C)C)cc1N2c1cccc2c1oc1ccccc12.Cc1cc2c3c(c1)-n1c4sc5ccccc5c4c4cc(C(C)(C)C)cc(c41)B3c1ccc(C(C)(C)C)cc1N2c1cccc2oc3ccccc3c12.Cc1cc2c3c(c1)-n1c4sc5ccccc5c4c4cc(C(C)(C)C)cc(c41)B3c1ccc(N(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)cc1N2c1ccc(C(C)(C)C)cc1-c1ccccc1.

What is the InChIKey of 27-tert-butyl-N,N-bis(4-tert-butylphenyl)-9-(4-tert-butyl-2-phenylphenyl)-12-methyl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(28),3(8),4,6,10,12,14(30),16(24),18,20,22,25(29),26-tridecaen-6-amine;14-tert-butyl-21,21,24,24,31-pentamethyl-28-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-thia-2,28-diaza-17-boranonacyclo[15.15.1.12,12.03,11.05,10.018,27.020,25.029,33.016,34]tetratriaconta-1(33),3(11),5,7,9,12(34),13,15,18,20(25),26,29,31-tridecaene;6,27-ditert-butyl-9-dibenzofuran-1-yl-12-methyl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(28),3(8),4,6,10,12,14(30),16(24),18,20,22,25(29),26-tridecaene;6,27-ditert-butyl-9-dibenzofuran-4-yl-12-methyl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(28),3(8),4,6,10,12,14(30),16(24),18,20,22,25(29),26-tridecaene?

The InChIKey is AASFFOSIRXSNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H66BN3S.C53H57BN2S.2C47H39BN2OS/c1-41-35-57-61-58(36-41)71-62-52(60-50-21-17-18-22-59(50)72-63(60)71)38-46(67(11,12)13)39-54(62)68(61)53-33-32-49(40-56(53)70(57)55-34-27-45(66(8,9)10)37-51(55)42-19-15-14-16-20-42)69(47-28-23-43(24-29-47)64(2,3)4)48-30-25-44(26-31-48)65(5,6)7;1-30-23-42-46-43(24-30)56-47-34(45-33-15-13-14-16-44(33)57-48(45)56)25-31(49(2,3)4)26-40(47)54(46)39-28-37-38(53(11,12)22-21-52(37,9)10)29-41(39)55(42)32-17-18-35-36(27-32)51(7,8)20-19-50(35,5)6;1-26-21-37-42-38(22-26)50-43-32(41-31-14-9-11-18-40(31)52-45(41)50)23-28(47(5,6)7)24-34(43)48(42)33-20-19-27(46(2,3)4)25-36(33)49(37)35-16-12-15-30-29-13-8-10-17-39(29)51-44(30)35;1-26-21-36-43-37(22-26)50-44-31(41-30-14-9-11-18-40(30)52-45(41)50)23-28(47(5,6)7)24-33(44)48(43)32-20-19-27(46(2,3)4)25-35(32)49(36)34-15-12-17-39-42(34)29-13-8-10-16-38(29)51-39/h14-40H,1-13H3;13-18,23-29H,19-22H2,1-12H3;2*8-25H,1-7H3.

What are the key properties of 27-tert-butyl-N,N-bis(4-tert-butylphenyl)-9-(4-tert-butyl-2-phenylphenyl)-12-methyl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(28),3(8),4,6,10,12,14(30),16(24),18,20,22,25(29),26-tridecaen-6-amine;14-tert-butyl-21,21,24,24,31-pentamethyl-28-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-thia-2,28-diaza-17-boranonacyclo[15.15.1.12,12.03,11.05,10.018,27.020,25.029,33.016,34]tetratriaconta-1(33),3(11),5,7,9,12(34),13,15,18,20(25),26,29,31-tridecaene;6,27-ditert-butyl-9-dibenzofuran-1-yl-12-methyl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(28),3(8),4,6,10,12,14(30),16(24),18,20,22,25(29),26-tridecaene;6,27-ditert-butyl-9-dibenzofuran-4-yl-12-methyl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(28),3(8),4,6,10,12,14(30),16(24),18,20,22,25(29),26-tridecaene?

27-tert-butyl-N,N-bis(4-tert-butylphenyl)-9-(4-tert-butyl-2-phenylphenyl)-12-methyl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(28),3(8),4,6,10,12,14(30),16(24),18,20,22,25(29),26-tridecaen-6-amine;14-tert-butyl-21,21,24,24,31-pentamethyl-28-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-thia-2,28-diaza-17-boranonacyclo[15.15.1.12,12.03,11.05,10.018,27.020,25.029,33.016,34]tetratriaconta-1(33),3(11),5,7,9,12(34),13,15,18,20(25),26,29,31-tridecaene;6,27-ditert-butyl-9-dibenzofuran-1-yl-12-methyl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(28),3(8),4,6,10,12,14(30),16(24),18,20,22,25(29),26-tridecaene;6,27-ditert-butyl-9-dibenzofuran-4-yl-12-methyl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(28),3(8),4,6,10,12,14(30),16(24),18,20,22,25(29),26-tridecaene has a molecular weight of 3102.54 g/mol, XLogP of 52.99, 8 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 27-tert-butyl-N,N-bis(4-tert-butylphenyl)-9-(4-tert-butyl-2-phenylphenyl)-12-methyl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(28),3(8),4,6,10,12,14(30),16(24),18,20,22,25(29),26-tridecaen-6-amine;14-tert-butyl-21,21,24,24,31-pentamethyl-28-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-thia-2,28-diaza-17-boranonacyclo[15.15.1.12,12.03,11.05,10.018,27.020,25.029,33.016,34]tetratriaconta-1(33),3(11),5,7,9,12(34),13,15,18,20(25),26,29,31-tridecaene;6,27-ditert-butyl-9-dibenzofuran-1-yl-12-methyl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(28),3(8),4,6,10,12,14(30),16(24),18,20,22,25(29),26-tridecaene;6,27-ditert-butyl-9-dibenzofuran-4-yl-12-methyl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(28),3(8),4,6,10,12,14(30),16(24),18,20,22,25(29),26-tridecaene is sourced from PubChem (CID 164947157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).