25-tert-butyl-17-methyl-11,11,15-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;15-(4-tert-butylphenyl)-18-(2,3,4,5,6-pentadeuteriophenyl)-11,11,24-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16(28),17,19,22(27),23,25-dodecaene;25-tert-butyl-11,11,15,19-tetraphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16(28),17,19,22(27),23,25-dodecaene;17-methyl-11,11,15-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaene

C200H152B4N4O4Si4 — CID 163692909

IUPAC25-tert-butyl-17-methyl-11,11,15-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;15-(4-tert-butylphenyl)-18-(2,3,4,5,6-pentadeuteriophenyl)-11,11,24-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16(28),17,19,22(27),23,25-dodecaene;25-tert-butyl-11,11,15,19-tetraphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16(28),17,19,22(27),23,25-dodecaene;17-methyl-11,11,15-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaene
SMILESCC(C)(C)c1ccc2c(c1)B1c3cc4c(cc3N(c3ccccc3)c3ccc(-c5ccccc5)c(c31)O2)[Si](c1ccccc1)(c1ccccc1)c1ccccc1-4.Cc1ccc2c3c1N(c1ccccc1)c1cc4c(cc1B3c1cc(C(C)(C)C)ccc1O2)-c1ccccc1[Si]4(c1ccccc1)c1ccccc1.Cc1ccc2c3c1N(c1ccccc1)c1cc4c(cc1B3c1ccccc1O2)-c1ccccc1[Si]4(c1ccccc1)c1ccccc1.[2H]c1c([2H])c([2H])c(-c2cc3c4c(c2)N(c2ccc(C(C)(C)C)cc2)c2cc5c(cc2B4c2ccc(-c4ccccc4)cc2O3)-c2ccccc2[Si]5(c2ccccc2)c2ccccc2)c([2H])c1[2H]
InChIInChI=1S/C58H44BNOSi.C52H40BNOSi.C47H38BNOSi.C43H30BNOSi/c1-58(2,3)43-29-31-44(32-30-43)60-51-38-56-48(47-26-16-17-27-55(47)62(56,45-22-12-6-13-23-45)46-24-14-7-15-25-46)37-50(51)59-49-33-28-41(39-18-8-4-9-19-39)35-53(49)61-54-36-42(34-52(60)57(54)59)40-20-10-5-11-21-40;1-52(2,3)36-28-31-47-44(32-36)53-43-33-42-41-26-16-17-27-48(41)56(38-22-12-6-13-23-38,39-24-14-7-15-25-39)49(42)34-46(43)54(37-20-10-5-11-21-37)45-30-29-40(51(55-47)50(45)53)35-18-8-4-9-19-35;1-31-24-26-42-45-46(31)49(33-16-8-5-9-17-33)40-30-44-37(29-38(40)48(45)39-28-32(47(2,3)4)25-27-41(39)50-42)36-22-14-15-23-43(36)51(44,34-18-10-6-11-19-34)35-20-12-7-13-21-35;1-29-25-26-39-42-43(29)45(30-15-5-2-6-16-30)37-28-41-34(27-36(37)44(42)35-22-12-13-23-38(35)46-39)33-21-11-14-24-40(33)47(41,31-17-7-3-8-18-31)32-19-9-4-10-20-32/h4-38H,1-3H3;4-34H,1-3H3;5-30H,1-4H3;2-28H,1H3/i5D,10D,11D,20D,21D;;;
InChIKeyJULYENIUDYSPLT-YRRSKKEOSA-N
MW2836.06 g/mol
LogP31.31
Rot. Bonds15

About 25-tert-butyl-17-methyl-11,11,15-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;15-(4-tert-butylphenyl)-18-(2,3,4,5,6-pentadeuteriophenyl)-11,11,24-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16(28),17,19,22(27),23,25-dodecaene;25-tert-butyl-11,11,15,19-tetraphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16(28),17,19,22(27),23,25-dodecaene;17-methyl-11,11,15-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaene

25-tert-butyl-17-methyl-11,11,15-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;15-(4-tert-butylphenyl)-18-(2,3,4,5,6-pentadeuteriophenyl)-11,11,24-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16(28),17,19,22(27),23,25-dodecaene;25-tert-butyl-11,11,15,19-tetraphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16(28),17,19,22(27),23,25-dodecaene;17-methyl-11,11,15-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaene (PubChem CID 163692909) has the molecular formula C200H152B4N4O4Si4 and a molecular weight of 2836.06 g/mol. Its IUPAC name is 25-tert-butyl-17-methyl-11,11,15-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;15-(4-tert-butylphenyl)-18-(2,3,4,5,6-pentadeuteriophenyl)-11,11,24-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16(28),17,19,22(27),23,25-dodecaene;25-tert-butyl-11,11,15,19-tetraphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16(28),17,19,22(27),23,25-dodecaene;17-methyl-11,11,15-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaene.

Molecular Properties

Compound Name25-tert-butyl-17-methyl-11,11,15-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;15-(4-tert-butylphenyl)-18-(2,3,4,5,6-pentadeuteriophenyl)-11,11,24-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16(28),17,19,22(27),23,25-dodecaene;25-tert-butyl-11,11,15,19-tetraphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16(28),17,19,22(27),23,25-dodecaene;17-methyl-11,11,15-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaene
PubChem CID163692909
Molecular FormulaC200H152B4N4O4Si4
Molecular Weight2836.06 g/mol
Exact Mass2834.16
IUPAC Name25-tert-butyl-17-methyl-11,11,15-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;15-(4-tert-butylphenyl)-18-(2,3,4,5,6-pentadeuteriophenyl)-11,11,24-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16(28),17,19,22(27),23,25-dodecaene;25-tert-butyl-11,11,15,19-tetraphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16(28),17,19,22(27),23,25-dodecaene;17-methyl-11,11,15-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaene
SMILESCC(C)(C)c1ccc2c(c1)B1c3cc4c(cc3N(c3ccccc3)c3ccc(-c5ccccc5)c(c31)O2)[Si](c1ccccc1)(c1ccccc1)c1ccccc1-4.Cc1ccc2c3c1N(c1ccccc1)c1cc4c(cc1B3c1cc(C(C)(C)C)ccc1O2)-c1ccccc1[Si]4(c1ccccc1)c1ccccc1.Cc1ccc2c3c1N(c1ccccc1)c1cc4c(cc1B3c1ccccc1O2)-c1ccccc1[Si]4(c1ccccc1)c1ccccc1.[2H]c1c([2H])c([2H])c(-c2cc3c4c(c2)N(c2ccc(C(C)(C)C)cc2)c2cc5c(cc2B4c2ccc(-c4ccccc4)cc2O3)-c2ccccc2[Si]5(c2ccccc2)c2ccccc2)c([2H])c1[2H]
InChIInChI=1S/C58H44BNOSi.C52H40BNOSi.C47H38BNOSi.C43H30BNOSi/c1-58(2,3)43-29-31-44(32-30-43)60-51-38-56-48(47-26-16-17-27-55(47)62(56,45-22-12-6-13-23-45)46-24-14-7-15-25-46)37-50(51)59-49-33-28-41(39-18-8-4-9-19-39)35-53(49)61-54-36-42(34-52(60)57(54)59)40-20-10-5-11-21-40;1-52(2,3)36-28-31-47-44(32-36)53-43-33-42-41-26-16-17-27-48(41)56(38-22-12-6-13-23-38,39-24-14-7-15-25-39)49(42)34-46(43)54(37-20-10-5-11-21-37)45-30-29-40(51(55-47)50(45)53)35-18-8-4-9-19-35;1-31-24-26-42-45-46(31)49(33-16-8-5-9-17-33)40-30-44-37(29-38(40)48(45)39-28-32(47(2,3)4)25-27-41(39)50-42)36-22-14-15-23-43(36)51(44,34-18-10-6-11-19-34)35-20-12-7-13-21-35;1-29-25-26-39-42-43(29)45(30-15-5-2-6-16-30)37-28-41-34(27-36(37)44(42)35-22-12-13-23-38(35)46-39)33-21-11-14-24-40(33)47(41,31-17-7-3-8-18-31)32-19-9-4-10-20-32/h4-38H,1-3H3;4-34H,1-3H3;5-30H,1-4H3;2-28H,1H3/i5D,10D,11D,20D,21D;;;
InChIKeyJULYENIUDYSPLT-YRRSKKEOSA-N
XLogP31.31
TPSA49.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms216
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002836.06
LogP ≤ 531.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 25-tert-butyl-17-methyl-11,11,15-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;15-(4-tert-butylphenyl)-18-(2,3,4,5,6-pentadeuteriophenyl)-11,11,24-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16(28),17,19,22(27),23,25-dodecaene;25-tert-butyl-11,11,15,19-tetraphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16(28),17,19,22(27),23,25-dodecaene;17-methyl-11,11,15-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaene with MolForge

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Related Compounds

25-tert-butyl-15-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-18-methyl-5,5-diphenyl-21-oxa-15-aza-5-sila-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22(27),23,25-dodecaene
CID 163557896
25-tert-butyl-15-(2-methylphenyl)-5,5-diphenyl-21-oxa-15-aza-5-sila-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22(27),23,25-dodecaene
CID 163940761
9,31-ditert-butyl-15,18,25-tris(4-tert-butylphenyl)-22-(2,6-diphenylphenyl)-12,28-dioxa-18,22-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13,15,17(36),19,23(35),24,26,29(34),30,32-pentadecaene
CID 164733064
4-tert-butyl-8-(4-tert-butyl-2-phenylphenyl)-14-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-11-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 163797081
14-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4,18-bis(3,5-ditert-butylphenyl)-11-phenyl-8-oxa-14-aza-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 169038382
25-tert-butyl-21-(4-tert-butylphenyl)-15-(2,6-dimethylphenyl)-18-methyl-5,5-diphenyl-15,21-diaza-5-sila-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22(27),23,25-dodecaene;25-tert-butyl-21-(4-tert-butylphenyl)-18-methyl-15-(2-methylphenyl)-5,5-diphenyl-15,21-diaza-5-sila-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22(27),23,25-dodecaene;25-tert-butyl-18-methyl-5,5,15,21-tetraphenyl-15,21-diaza-5-sila-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22(27),23,25-dodecaene;25-tert-butyl-5,5,15,21-tetraphenyl-15,21-diaza-5-sila-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22(27),23,25-dodecaene
CID 163474614
9,15,31-tritert-butyl-28-(4-tert-butylphenyl)-12,22-bis(2,6-diphenylphenyl)-25-phenyl-18-oxa-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29(34),30,32-pentadecaene
CID 164733073
11-(4-tert-butylphenyl)-4,14,14-triphenyl-8-(4-phenylphenyl)-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene
CID 162701036
21-tert-butyl-18,24-bis(2,6-diphenylphenyl)-5,15,35,43-tetraphenyl-32-(4-phenylphenyl)-8,28,46-trioxa-18,24,32-triaza-1,11,39-triboratridecacyclo[25.21.1.111,19.131,39.02,7.09,49.010,25.012,17.029,48.033,38.040,45.023,51.047,50]henpentaconta-2(7),3,5,9,12(17),13,15,19(51),20,22,25,27(49),29(48),30,33(38),34,36,40(45),41,43,47(50)-henicosaene
CID 176858162
[8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl]-triphenylsilane;8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-10-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;4-tert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-12-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;5,11-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;4,17-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-12-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;4,18-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-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 163449889
13-tert-butyl-23,44-bis(2,6-diphenylphenyl)-7,34,40-triphenyl-10,16-bis(2,4,6-triphenylphenyl)-20,30,48-trioxa-10,16,44-triaza-3,27,37-triboratridecacyclo[25.21.1.13,11.129,37.02,17.04,9.019,49.021,26.028,47.031,36.038,43.015,51.045,50]henpentaconta-1,4(9),5,7,11(51),12,14,17,19(49),21(26),22,24,28(47),29(50),31(36),32,34,38(43),39,41,45-henicosaene
CID 176858164
21-(3,6-ditert-butylcarbazol-9-yl)-18,24-bis(2,6-diphenylphenyl)-5,15,36,42-tetraphenyl-8,28,32,46-tetraoxa-18,24-diaza-1,11,39-triboratridecacyclo[25.21.1.111,19.131,39.02,7.09,49.010,25.012,17.029,48.033,38.040,45.023,51.047,50]henpentaconta-2(7),3,5,9,12(17),13,15,19(51),20,22,25,27(49),29,31(50),33(38),34,36,40(45),41,43,47-henicosaene
CID 176858192

Frequently Asked Questions

What is the IUPAC name of 25-tert-butyl-17-methyl-11,11,15-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;15-(4-tert-butylphenyl)-18-(2,3,4,5,6-pentadeuteriophenyl)-11,11,24-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16(28),17,19,22(27),23,25-dodecaene;25-tert-butyl-11,11,15,19-tetraphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16(28),17,19,22(27),23,25-dodecaene;17-methyl-11,11,15-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaene?
The IUPAC name of 25-tert-butyl-17-methyl-11,11,15-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;15-(4-tert-butylphenyl)-18-(2,3,4,5,6-pentadeuteriophenyl)-11,11,24-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16(28),17,19,22(27),23,25-dodecaene;25-tert-butyl-11,11,15,19-tetraphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16(28),17,19,22(27),23,25-dodecaene;17-methyl-11,11,15-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaene (CID 163692909) is 25-tert-butyl-17-methyl-11,11,15-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;15-(4-tert-butylphenyl)-18-(2,3,4,5,6-pentadeuteriophenyl)-11,11,24-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16(28),17,19,22(27),23,25-dodecaene;25-tert-butyl-11,11,15,19-tetraphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16(28),17,19,22(27),23,25-dodecaene;17-methyl-11,11,15-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaene.
What is the SMILES notation for 25-tert-butyl-17-methyl-11,11,15-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;15-(4-tert-butylphenyl)-18-(2,3,4,5,6-pentadeuteriophenyl)-11,11,24-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16(28),17,19,22(27),23,25-dodecaene;25-tert-butyl-11,11,15,19-tetraphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16(28),17,19,22(27),23,25-dodecaene;17-methyl-11,11,15-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaene?
The canonical SMILES for 25-tert-butyl-17-methyl-11,11,15-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;15-(4-tert-butylphenyl)-18-(2,3,4,5,6-pentadeuteriophenyl)-11,11,24-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16(28),17,19,22(27),23,25-dodecaene;25-tert-butyl-11,11,15,19-tetraphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16(28),17,19,22(27),23,25-dodecaene;17-methyl-11,11,15-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaene is CC(C)(C)c1ccc2c(c1)B1c3cc4c(cc3N(c3ccccc3)c3ccc(-c5ccccc5)c(c31)O2)[Si](c1ccccc1)(c1ccccc1)c1ccccc1-4.Cc1ccc2c3c1N(c1ccccc1)c1cc4c(cc1B3c1cc(C(C)(C)C)ccc1O2)-c1ccccc1[Si]4(c1ccccc1)c1ccccc1.Cc1ccc2c3c1N(c1ccccc1)c1cc4c(cc1B3c1ccccc1O2)-c1ccccc1[Si]4(c1ccccc1)c1ccccc1.[2H]c1c([2H])c([2H])c(-c2cc3c4c(c2)N(c2ccc(C(C)(C)C)cc2)c2cc5c(cc2B4c2ccc(-c4ccccc4)cc2O3)-c2ccccc2[Si]5(c2ccccc2)c2ccccc2)c([2H])c1[2H].
What is the InChIKey of 25-tert-butyl-17-methyl-11,11,15-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;15-(4-tert-butylphenyl)-18-(2,3,4,5,6-pentadeuteriophenyl)-11,11,24-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16(28),17,19,22(27),23,25-dodecaene;25-tert-butyl-11,11,15,19-tetraphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16(28),17,19,22(27),23,25-dodecaene;17-methyl-11,11,15-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaene?
The InChIKey is JULYENIUDYSPLT-YRRSKKEOSA-N. The full InChI is InChI=1S/C58H44BNOSi.C52H40BNOSi.C47H38BNOSi.C43H30BNOSi/c1-58(2,3)43-29-31-44(32-30-43)60-51-38-56-48(47-26-16-17-27-55(47)62(56,45-22-12-6-13-23-45)46-24-14-7-15-25-46)37-50(51)59-49-33-28-41(39-18-8-4-9-19-39)35-53(49)61-54-36-42(34-52(60)57(54)59)40-20-10-5-11-21-40;1-52(2,3)36-28-31-47-44(32-36)53-43-33-42-41-26-16-17-27-48(41)56(38-22-12-6-13-23-38,39-24-14-7-15-25-39)49(42)34-46(43)54(37-20-10-5-11-21-37)45-30-29-40(51(55-47)50(45)53)35-18-8-4-9-19-35;1-31-24-26-42-45-46(31)49(33-16-8-5-9-17-33)40-30-44-37(29-38(40)48(45)39-28-32(47(2,3)4)25-27-41(39)50-42)36-22-14-15-23-43(36)51(44,34-18-10-6-11-19-34)35-20-12-7-13-21-35;1-29-25-26-39-42-43(29)45(30-15-5-2-6-16-30)37-28-41-34(27-36(37)44(42)35-22-12-13-23-38(35)46-39)33-21-11-14-24-40(33)47(41,31-17-7-3-8-18-31)32-19-9-4-10-20-32/h4-38H,1-3H3;4-34H,1-3H3;5-30H,1-4H3;2-28H,1H3/i5D,10D,11D,20D,21D;;;.
What are the key properties of 25-tert-butyl-17-methyl-11,11,15-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;15-(4-tert-butylphenyl)-18-(2,3,4,5,6-pentadeuteriophenyl)-11,11,24-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16(28),17,19,22(27),23,25-dodecaene;25-tert-butyl-11,11,15,19-tetraphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16(28),17,19,22(27),23,25-dodecaene;17-methyl-11,11,15-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaene?
25-tert-butyl-17-methyl-11,11,15-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;15-(4-tert-butylphenyl)-18-(2,3,4,5,6-pentadeuteriophenyl)-11,11,24-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16(28),17,19,22(27),23,25-dodecaene;25-tert-butyl-11,11,15,19-tetraphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16(28),17,19,22(27),23,25-dodecaene;17-methyl-11,11,15-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaene has a molecular weight of 2836.06 g/mol, XLogP of 31.31, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 25-tert-butyl-17-methyl-11,11,15-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;15-(4-tert-butylphenyl)-18-(2,3,4,5,6-pentadeuteriophenyl)-11,11,24-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16(28),17,19,22(27),23,25-dodecaene;25-tert-butyl-11,11,15,19-tetraphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16(28),17,19,22(27),23,25-dodecaene;17-methyl-11,11,15-triphenyl-21-oxa-15-aza-11-sila-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaene is sourced from PubChem (CID 163692909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).