8,14-bis(6-tert-butyldibenzofuran-4-yl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;8,14-bis(4-tert-butylphenyl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;8,14-di(dibenzofuran-3-yl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-methyl-8,14-dinaphthalen-2-yl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

C220H168B4N8O4Si4 — CID 162170968

IUPAC8,14-bis(6-tert-butyldibenzofuran-4-yl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;8,14-bis(4-tert-butylphenyl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;8,14-di(dibenzofuran-3-yl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-methyl-8,14-dinaphthalen-2-yl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
SMILESCc1cc2c3c(c1)N(c1ccc(C(C)(C)C)cc1)c1cccc4c1B3c1c(cccc1[Si]4(c1ccccc1)c1ccccc1)N2c1ccc(C(C)(C)C)cc1.Cc1cc2c3c(c1)N(c1ccc4c(c1)oc1ccccc14)c1cccc4c1B3c1c(cccc1[Si]4(c1ccccc1)c1ccccc1)N2c1ccc2c(c1)oc1ccccc12.Cc1cc2c3c(c1)N(c1ccc4ccccc4c1)c1cccc4c1B3c1c(cccc1[Si]4(c1ccccc1)c1ccccc1)N2c1ccc2ccccc2c1.Cc1cc2c3c(c1)N(c1cccc4c1oc1c(C(C)(C)C)cccc14)c1cccc4c1B3c1c(cccc1[Si]4(c1ccccc1)c1ccccc1)N2c1cccc2c1oc1c(C(C)(C)C)cccc12
InChIInChI=1S/C63H51BN2O2Si.C55H35BN2O2Si.C51H35BN2Si.C51H47BN2Si/c1-38-36-51-55-52(37-38)66(50-33-17-27-44-42-25-15-29-46(63(5,6)7)59(42)68-61(44)50)48-31-19-35-54-57(48)64(55)56-47(30-18-34-53(56)69(54,39-20-10-8-11-21-39)40-22-12-9-13-23-40)65(51)49-32-16-26-43-41-24-14-28-45(62(2,3)4)58(41)67-60(43)49;1-34-30-45-53-46(31-34)58(36-27-29-42-40-19-9-11-23-48(40)60-50(42)33-36)44-21-13-25-52-55(44)56(53)54-43(57(45)35-26-28-41-39-18-8-10-22-47(39)59-49(41)32-35)20-12-24-51(54)61(52,37-14-4-2-5-15-37)38-16-6-3-7-17-38;1-34-30-45-49-46(31-34)54(40-29-27-36-15-9-11-17-38(36)33-40)44-23-13-25-48-51(44)52(49)50-43(53(45)39-28-26-35-14-8-10-16-37(35)32-39)22-12-24-47(50)55(48,41-18-4-2-5-19-41)42-20-6-3-7-21-42;1-34-32-43-47-44(33-34)54(38-30-26-36(27-31-38)51(5,6)7)42-21-15-23-46-49(42)52(47)48-41(53(43)37-28-24-35(25-29-37)50(2,3)4)20-14-22-45(48)55(46,39-16-10-8-11-17-39)40-18-12-9-13-19-40/h8-37H,1-7H3;2-33H,1H3;2-33H,1H3;8-33H,1-7H3
InChIKeyZNTYWXRZIRESPB-UHFFFAOYSA-N
MW3143.41 g/mol
LogP38.17
Rot. Bonds16

About 8,14-bis(6-tert-butyldibenzofuran-4-yl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;8,14-bis(4-tert-butylphenyl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;8,14-di(dibenzofuran-3-yl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-methyl-8,14-dinaphthalen-2-yl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

8,14-bis(6-tert-butyldibenzofuran-4-yl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;8,14-bis(4-tert-butylphenyl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;8,14-di(dibenzofuran-3-yl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-methyl-8,14-dinaphthalen-2-yl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (PubChem CID 162170968) has the molecular formula C220H168B4N8O4Si4 and a molecular weight of 3143.41 g/mol. Its IUPAC name is 8,14-bis(6-tert-butyldibenzofuran-4-yl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;8,14-bis(4-tert-butylphenyl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;8,14-di(dibenzofuran-3-yl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-methyl-8,14-dinaphthalen-2-yl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.

Molecular Properties

Compound Name8,14-bis(6-tert-butyldibenzofuran-4-yl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;8,14-bis(4-tert-butylphenyl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;8,14-di(dibenzofuran-3-yl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-methyl-8,14-dinaphthalen-2-yl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
PubChem CID162170968
Molecular FormulaC220H168B4N8O4Si4
Molecular Weight3143.41 g/mol
Exact Mass3141.26
IUPAC Name8,14-bis(6-tert-butyldibenzofuran-4-yl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;8,14-bis(4-tert-butylphenyl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;8,14-di(dibenzofuran-3-yl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-methyl-8,14-dinaphthalen-2-yl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
SMILESCc1cc2c3c(c1)N(c1ccc(C(C)(C)C)cc1)c1cccc4c1B3c1c(cccc1[Si]4(c1ccccc1)c1ccccc1)N2c1ccc(C(C)(C)C)cc1.Cc1cc2c3c(c1)N(c1ccc4c(c1)oc1ccccc14)c1cccc4c1B3c1c(cccc1[Si]4(c1ccccc1)c1ccccc1)N2c1ccc2c(c1)oc1ccccc12.Cc1cc2c3c(c1)N(c1ccc4ccccc4c1)c1cccc4c1B3c1c(cccc1[Si]4(c1ccccc1)c1ccccc1)N2c1ccc2ccccc2c1.Cc1cc2c3c(c1)N(c1cccc4c1oc1c(C(C)(C)C)cccc14)c1cccc4c1B3c1c(cccc1[Si]4(c1ccccc1)c1ccccc1)N2c1cccc2c1oc1c(C(C)(C)C)cccc12
InChIInChI=1S/C63H51BN2O2Si.C55H35BN2O2Si.C51H35BN2Si.C51H47BN2Si/c1-38-36-51-55-52(37-38)66(50-33-17-27-44-42-25-15-29-46(63(5,6)7)59(42)68-61(44)50)48-31-19-35-54-57(48)64(55)56-47(30-18-34-53(56)69(54,39-20-10-8-11-21-39)40-22-12-9-13-23-40)65(51)49-32-16-26-43-41-24-14-28-45(62(2,3)4)58(41)67-60(43)49;1-34-30-45-53-46(31-34)58(36-27-29-42-40-19-9-11-23-48(40)60-50(42)33-36)44-21-13-25-52-55(44)56(53)54-43(57(45)35-26-28-41-39-18-8-10-22-47(39)59-49(41)32-35)20-12-24-51(54)61(52,37-14-4-2-5-15-37)38-16-6-3-7-17-38;1-34-30-45-49-46(31-34)54(40-29-27-36-15-9-11-17-38(36)33-40)44-23-13-25-48-51(44)52(49)50-43(53(45)39-28-26-35-14-8-10-16-37(35)32-39)22-12-24-47(50)55(48,41-18-4-2-5-19-41)42-20-6-3-7-21-42;1-34-32-43-47-44(33-34)54(38-30-26-36(27-31-38)51(5,6)7)42-21-15-23-46-49(42)52(47)48-41(53(43)37-28-24-35(25-29-37)50(2,3)4)20-14-22-45(48)55(46,39-16-10-8-11-17-39)40-18-12-9-13-19-40/h8-37H,1-7H3;2-33H,1H3;2-33H,1H3;8-33H,1-7H3
InChIKeyZNTYWXRZIRESPB-UHFFFAOYSA-N
XLogP38.17
TPSA78.48 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms240
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003143.41
LogP ≤ 538.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 8,14-bis(6-tert-butyldibenzofuran-4-yl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;8,14-bis(4-tert-butylphenyl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;8,14-di(dibenzofuran-3-yl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-methyl-8,14-dinaphthalen-2-yl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene with MolForge

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Related Compounds

8,14-bis(6-tert-butyldibenzofuran-4-yl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 161283258
8,14-bis(6-tert-butyldibenzofuran-4-yl)-11,22,22-trimethyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 158602869
4,18-ditert-butyl-8-dibenzofuran-4-yl-14-(4-dibenzofuran-3-ylphenyl)-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 174291236
5,17-ditert-butyl-8-(4-dibenzofuran-4-ylphenyl)-11-methyl-14-naphthalen-2-yl-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
CID 174293752
14-[6-(2,8-dimethyl-10-phenylphenazin-5-yl)anthracen-2-yl]-21-phenyl-10-oxa-14,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[7-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenanthren-2-yl]-21,21-diphenyl-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 158767544
11-tert-butyl-8-naphtho[1,2-b][1]benzofuran-9-yl-14-phenyl-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
CID 176780050
4,18-ditert-butyl-8-dibenzofuran-3-yl-14-(4-dibenzofuran-2-ylphenyl)-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 174291228
5,11,17-tritert-butyl-8-(4-dibenzofuran-4-ylphenyl)-14-naphthalen-2-yl-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
CID 174293756
8,14-bis(4-tert-butylphenyl)-5,11,22,22-tetramethyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 159207527
4,18-ditert-butyl-8-(4-tert-butyl-3-dibenzofuran-3-ylphenyl)-14-(4-tert-butylphenyl)-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 171740590
11,17-bis(4-tert-butylphenyl)-14-methyl-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;5,23-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-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(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene;7,21-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-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(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene;5,7,21,23-tetratert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-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(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene
CID 159686104
14-dibenzothiophen-3-yl-11-methyl-22,22-diphenyl-8-oxa-14-aza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 161386036

Frequently Asked Questions

What is the IUPAC name of 8,14-bis(6-tert-butyldibenzofuran-4-yl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;8,14-bis(4-tert-butylphenyl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;8,14-di(dibenzofuran-3-yl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-methyl-8,14-dinaphthalen-2-yl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?
The IUPAC name of 8,14-bis(6-tert-butyldibenzofuran-4-yl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;8,14-bis(4-tert-butylphenyl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;8,14-di(dibenzofuran-3-yl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-methyl-8,14-dinaphthalen-2-yl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (CID 162170968) is 8,14-bis(6-tert-butyldibenzofuran-4-yl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;8,14-bis(4-tert-butylphenyl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;8,14-di(dibenzofuran-3-yl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-methyl-8,14-dinaphthalen-2-yl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.
What is the SMILES notation for 8,14-bis(6-tert-butyldibenzofuran-4-yl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;8,14-bis(4-tert-butylphenyl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;8,14-di(dibenzofuran-3-yl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-methyl-8,14-dinaphthalen-2-yl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?
The canonical SMILES for 8,14-bis(6-tert-butyldibenzofuran-4-yl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;8,14-bis(4-tert-butylphenyl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;8,14-di(dibenzofuran-3-yl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-methyl-8,14-dinaphthalen-2-yl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is Cc1cc2c3c(c1)N(c1ccc(C(C)(C)C)cc1)c1cccc4c1B3c1c(cccc1[Si]4(c1ccccc1)c1ccccc1)N2c1ccc(C(C)(C)C)cc1.Cc1cc2c3c(c1)N(c1ccc4c(c1)oc1ccccc14)c1cccc4c1B3c1c(cccc1[Si]4(c1ccccc1)c1ccccc1)N2c1ccc2c(c1)oc1ccccc12.Cc1cc2c3c(c1)N(c1ccc4ccccc4c1)c1cccc4c1B3c1c(cccc1[Si]4(c1ccccc1)c1ccccc1)N2c1ccc2ccccc2c1.Cc1cc2c3c(c1)N(c1cccc4c1oc1c(C(C)(C)C)cccc14)c1cccc4c1B3c1c(cccc1[Si]4(c1ccccc1)c1ccccc1)N2c1cccc2c1oc1c(C(C)(C)C)cccc12.
What is the InChIKey of 8,14-bis(6-tert-butyldibenzofuran-4-yl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;8,14-bis(4-tert-butylphenyl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;8,14-di(dibenzofuran-3-yl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-methyl-8,14-dinaphthalen-2-yl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?
The InChIKey is ZNTYWXRZIRESPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H51BN2O2Si.C55H35BN2O2Si.C51H35BN2Si.C51H47BN2Si/c1-38-36-51-55-52(37-38)66(50-33-17-27-44-42-25-15-29-46(63(5,6)7)59(42)68-61(44)50)48-31-19-35-54-57(48)64(55)56-47(30-18-34-53(56)69(54,39-20-10-8-11-21-39)40-22-12-9-13-23-40)65(51)49-32-16-26-43-41-24-14-28-45(62(2,3)4)58(41)67-60(43)49;1-34-30-45-53-46(31-34)58(36-27-29-42-40-19-9-11-23-48(40)60-50(42)33-36)44-21-13-25-52-55(44)56(53)54-43(57(45)35-26-28-41-39-18-8-10-22-47(39)59-49(41)32-35)20-12-24-51(54)61(52,37-14-4-2-5-15-37)38-16-6-3-7-17-38;1-34-30-45-49-46(31-34)54(40-29-27-36-15-9-11-17-38(36)33-40)44-23-13-25-48-51(44)52(49)50-43(53(45)39-28-26-35-14-8-10-16-37(35)32-39)22-12-24-47(50)55(48,41-18-4-2-5-19-41)42-20-6-3-7-21-42;1-34-32-43-47-44(33-34)54(38-30-26-36(27-31-38)51(5,6)7)42-21-15-23-46-49(42)52(47)48-41(53(43)37-28-24-35(25-29-37)50(2,3)4)20-14-22-45(48)55(46,39-16-10-8-11-17-39)40-18-12-9-13-19-40/h8-37H,1-7H3;2-33H,1H3;2-33H,1H3;8-33H,1-7H3.
What are the key properties of 8,14-bis(6-tert-butyldibenzofuran-4-yl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;8,14-bis(4-tert-butylphenyl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;8,14-di(dibenzofuran-3-yl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-methyl-8,14-dinaphthalen-2-yl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?
8,14-bis(6-tert-butyldibenzofuran-4-yl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;8,14-bis(4-tert-butylphenyl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;8,14-di(dibenzofuran-3-yl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-methyl-8,14-dinaphthalen-2-yl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene has a molecular weight of 3143.41 g/mol, XLogP of 38.17, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 8,14-bis(6-tert-butyldibenzofuran-4-yl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;8,14-bis(4-tert-butylphenyl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;8,14-di(dibenzofuran-3-yl)-11-methyl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-methyl-8,14-dinaphthalen-2-yl-22,22-diphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is sourced from PubChem (CID 162170968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).