19-tert-butyl-25-(4-tert-butylphenyl)-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16(21),17,19,23(27),24-dodecaene-22,9'-fluorene];25-tert-butyl-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16,18,20,23(27),24-dodecaene-22,9'-fluorene];19,25-ditert-butyl-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16(21),17,19,23(27),24-dodecaene-22,9'-fluorene];9,9,22,22-tetraphenyl-2-aza-9,22-disila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(27),3,5,7,10,12,14(28),16,18,20,23,25-dodecaene;9,9,25-triphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16,18,20,23(27),24-dodecaene-22,9'-fluorene]

C276H210B5N5Si6 — CID 163578509

IUPAC19-tert-butyl-25-(4-tert-butylphenyl)-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16(21),17,19,23(27),24-dodecaene-22,9'-fluorene];25-tert-butyl-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16,18,20,23(27),24-dodecaene-22,9'-fluorene];19,25-ditert-butyl-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16(21),17,19,23(27),24-dodecaene-22,9'-fluorene];9,9,22,22-tetraphenyl-2-aza-9,22-disila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(27),3,5,7,10,12,14(28),16,18,20,23,25-dodecaene;9,9,25-triphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16,18,20,23(27),24-dodecaene-22,9'-fluorene]
SMILESCC(C)(C)c1cc2c3c(c1)C1(c4ccccc4B3c3cccc4c3N2c2ccccc2[Si]4(c2ccccc2)c2ccccc2)c2ccccc2-c2ccccc21.CC(C)(C)c1ccc(-c2cc3c4c(c2)C2(c5cc(C(C)(C)C)ccc5B4c4cccc5c4N3c3ccccc3[Si]5(c3ccccc3)c3ccccc3)c3ccccc3-c3ccccc32)cc1.CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C(C)(C)C)cc3c1B2c1cccc2c1N3c1ccccc1[Si]2(c1ccccc1)c1ccccc1.c1ccc(-c2cc3c4c(c2)C2(c5ccccc5B4c4cccc5c4N3c3ccccc3[Si]5(c3ccccc3)c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3B3c4cccc5c4N(c4ccccc4[Si]5(c4ccccc4)c4ccccc4)c4cccc2c43)cc1
InChIInChI=1S/C63H52BNSi.C57H48BNSi.C55H36BNSi.C53H40BNSi.C48H34BNSi2/c1-61(2,3)43-34-32-41(33-35-43)42-38-52-59-56(39-42)65-55-29-17-18-30-57(55)66(45-20-9-7-10-21-45,46-22-11-8-12-23-46)58-31-19-28-54(60(58)65)64(59)53-37-36-44(62(4,5)6)40-51(53)63(52)49-26-15-13-24-47(49)48-25-14-16-27-50(48)63;1-55(2,3)37-32-33-47-45(34-37)57(43-26-15-13-24-41(43)42-25-14-16-27-44(42)57)46-35-38(56(4,5)6)36-50-53(46)58(47)48-28-19-31-52-54(48)59(50)49-29-17-18-30-51(49)60(52,39-20-9-7-10-21-39)40-22-11-8-12-23-40;1-4-19-37(20-5-1)38-35-46-53-50(36-38)57-49-32-16-17-33-51(49)58(39-21-6-2-7-22-39,40-23-8-3-9-24-40)52-34-18-31-48(54(52)57)56(53)47-30-15-14-29-45(47)55(46)43-27-12-10-25-41(43)42-26-11-13-28-44(42)55;1-52(2,3)35-33-43-50-47(34-35)55-46-30-16-17-31-48(46)56(36-19-6-4-7-20-36,37-21-8-5-9-22-37)49-32-18-29-45(51(49)55)54(50)44-28-15-14-27-42(44)53(43)40-25-12-10-23-38(40)39-24-11-13-26-41(39)53;1-5-19-35(20-6-1)51(36-21-7-2-8-22-36)43-31-15-13-27-39(43)49-40-28-17-34-46-48(40)50(42-30-18-33-45(51)47(42)49)41-29-14-16-32-44(41)52(46,37-23-9-3-10-24-37)38-25-11-4-12-26-38/h7-40H,1-6H3;7-36H,1-6H3;1-36H;4-34H,1-3H3;1-34H
InChIKeyGFOUUAIGKMBEND-UHFFFAOYSA-N
MW3819.33 g/mol
LogP38.60
Rot. Bonds14

About 19-tert-butyl-25-(4-tert-butylphenyl)-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16(21),17,19,23(27),24-dodecaene-22,9'-fluorene];25-tert-butyl-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16,18,20,23(27),24-dodecaene-22,9'-fluorene];19,25-ditert-butyl-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16(21),17,19,23(27),24-dodecaene-22,9'-fluorene];9,9,22,22-tetraphenyl-2-aza-9,22-disila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(27),3,5,7,10,12,14(28),16,18,20,23,25-dodecaene;9,9,25-triphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16,18,20,23(27),24-dodecaene-22,9'-fluorene]

19-tert-butyl-25-(4-tert-butylphenyl)-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16(21),17,19,23(27),24-dodecaene-22,9'-fluorene];25-tert-butyl-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16,18,20,23(27),24-dodecaene-22,9'-fluorene];19,25-ditert-butyl-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16(21),17,19,23(27),24-dodecaene-22,9'-fluorene];9,9,22,22-tetraphenyl-2-aza-9,22-disila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(27),3,5,7,10,12,14(28),16,18,20,23,25-dodecaene;9,9,25-triphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16,18,20,23(27),24-dodecaene-22,9'-fluorene] (PubChem CID 163578509) has the molecular formula C276H210B5N5Si6 and a molecular weight of 3819.33 g/mol. Its IUPAC name is 19-tert-butyl-25-(4-tert-butylphenyl)-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16(21),17,19,23(27),24-dodecaene-22,9'-fluorene];25-tert-butyl-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16,18,20,23(27),24-dodecaene-22,9'-fluorene];19,25-ditert-butyl-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16(21),17,19,23(27),24-dodecaene-22,9'-fluorene];9,9,22,22-tetraphenyl-2-aza-9,22-disila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(27),3,5,7,10,12,14(28),16,18,20,23,25-dodecaene;9,9,25-triphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16,18,20,23(27),24-dodecaene-22,9'-fluorene].

Molecular Properties

Compound Name19-tert-butyl-25-(4-tert-butylphenyl)-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16(21),17,19,23(27),24-dodecaene-22,9'-fluorene];25-tert-butyl-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16,18,20,23(27),24-dodecaene-22,9'-fluorene];19,25-ditert-butyl-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16(21),17,19,23(27),24-dodecaene-22,9'-fluorene];9,9,22,22-tetraphenyl-2-aza-9,22-disila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(27),3,5,7,10,12,14(28),16,18,20,23,25-dodecaene;9,9,25-triphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16,18,20,23(27),24-dodecaene-22,9'-fluorene]
PubChem CID163578509
Molecular FormulaC276H210B5N5Si6
Molecular Weight3819.33 g/mol
Exact Mass3816.57
IUPAC Name19-tert-butyl-25-(4-tert-butylphenyl)-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16(21),17,19,23(27),24-dodecaene-22,9'-fluorene];25-tert-butyl-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16,18,20,23(27),24-dodecaene-22,9'-fluorene];19,25-ditert-butyl-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16(21),17,19,23(27),24-dodecaene-22,9'-fluorene];9,9,22,22-tetraphenyl-2-aza-9,22-disila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(27),3,5,7,10,12,14(28),16,18,20,23,25-dodecaene;9,9,25-triphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16,18,20,23(27),24-dodecaene-22,9'-fluorene]
SMILESCC(C)(C)c1cc2c3c(c1)C1(c4ccccc4B3c3cccc4c3N2c2ccccc2[Si]4(c2ccccc2)c2ccccc2)c2ccccc2-c2ccccc21.CC(C)(C)c1ccc(-c2cc3c4c(c2)C2(c5cc(C(C)(C)C)ccc5B4c4cccc5c4N3c3ccccc3[Si]5(c3ccccc3)c3ccccc3)c3ccccc3-c3ccccc32)cc1.CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C(C)(C)C)cc3c1B2c1cccc2c1N3c1ccccc1[Si]2(c1ccccc1)c1ccccc1.c1ccc(-c2cc3c4c(c2)C2(c5ccccc5B4c4cccc5c4N3c3ccccc3[Si]5(c3ccccc3)c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3B3c4cccc5c4N(c4ccccc4[Si]5(c4ccccc4)c4ccccc4)c4cccc2c43)cc1
InChIInChI=1S/C63H52BNSi.C57H48BNSi.C55H36BNSi.C53H40BNSi.C48H34BNSi2/c1-61(2,3)43-34-32-41(33-35-43)42-38-52-59-56(39-42)65-55-29-17-18-30-57(55)66(45-20-9-7-10-21-45,46-22-11-8-12-23-46)58-31-19-28-54(60(58)65)64(59)53-37-36-44(62(4,5)6)40-51(53)63(52)49-26-15-13-24-47(49)48-25-14-16-27-50(48)63;1-55(2,3)37-32-33-47-45(34-37)57(43-26-15-13-24-41(43)42-25-14-16-27-44(42)57)46-35-38(56(4,5)6)36-50-53(46)58(47)48-28-19-31-52-54(48)59(50)49-29-17-18-30-51(49)60(52,39-20-9-7-10-21-39)40-22-11-8-12-23-40;1-4-19-37(20-5-1)38-35-46-53-50(36-38)57-49-32-16-17-33-51(49)58(39-21-6-2-7-22-39,40-23-8-3-9-24-40)52-34-18-31-48(54(52)57)56(53)47-30-15-14-29-45(47)55(46)43-27-12-10-25-41(43)42-26-11-13-28-44(42)55;1-52(2,3)35-33-43-50-47(34-35)55-46-30-16-17-31-48(46)56(36-19-6-4-7-20-36,37-21-8-5-9-22-37)49-32-18-29-45(51(49)55)54(50)44-28-15-14-27-42(44)53(43)40-25-12-10-23-38(40)39-24-11-13-26-41(39)53;1-5-19-35(20-6-1)51(36-21-7-2-8-22-36)43-31-15-13-27-39(43)49-40-28-17-34-46-48(40)50(42-30-18-33-45(51)47(42)49)41-29-14-16-32-44(41)52(46,37-23-9-3-10-24-37)38-25-11-4-12-26-38/h7-40H,1-6H3;7-36H,1-6H3;1-36H;4-34H,1-3H3;1-34H
InChIKeyGFOUUAIGKMBEND-UHFFFAOYSA-N
XLogP38.60
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms292
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003819.33
LogP ≤ 538.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 19-tert-butyl-25-(4-tert-butylphenyl)-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16(21),17,19,23(27),24-dodecaene-22,9'-fluorene];25-tert-butyl-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16,18,20,23(27),24-dodecaene-22,9'-fluorene];19,25-ditert-butyl-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16(21),17,19,23(27),24-dodecaene-22,9'-fluorene];9,9,22,22-tetraphenyl-2-aza-9,22-disila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(27),3,5,7,10,12,14(28),16,18,20,23,25-dodecaene;9,9,25-triphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16,18,20,23(27),24-dodecaene-22,9'-fluorene] with MolForge

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Launch Full Analysis

Related Compounds

22-(3,5-ditert-butylphenyl)-9,9,19-triphenyl-2,22-diaza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(27),3,5,7,10,12,14(28),16(21),17,19,23,25-dodecaene
CID 162700982
19,25-ditert-butyl-22-(4-fluorophenyl)-9,9-diphenyl-2,22-diaza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16(21),17,19,23(27),24-dodecaene
CID 162701035
19-tert-butyl-22-(2,3,4,5,6-pentadeuteriophenyl)-9,9-diphenyl-2,22-diaza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16(21),17,19,23(27),24-dodecaene
CID 162700977
7,7-diphenyl-20-(2,4,6-trimethylphenyl)spiro[14,20-diaza-7-sila-1-boranonacyclo[17.14.1.12,6.08,13.015,34.021,33.023,31.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15(34),16,18,21,23(31),24,26,28,32-pentadecaene-30,9'-fluorene]
CID 155645458
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
5-tert-butyl-8-(3,5-ditert-butylphenyl)-11-phenyl-14-(9,9'-spirobi[fluorene]-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
CID 164715336
22-(3-tert-butylphenyl)-9,9,19-triphenyl-25-pyren-1-yl-2,22-diaza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16(21),17,19,23(27),24-dodecaene
CID 162701058
8-[2,6-bis(2-phenylphenyl)phenyl]-4,11,18-tritert-butyl-14,14-diphenyl-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(20),16,18-nonaene
CID 176790323
11-tert-butyl-17-(3,6-ditert-butylcarbazol-9-yl)-5-(3,5-ditert-butylphenyl)-8-(2,6-diphenylphenyl)-14,14-diphenyl-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(20),16,18-nonaene
CID 169076929
5-N,5-N,17-N,17-N-tetrakis(4-tert-butylphenyl)-8-(2,6-diphenylphenyl)-11,14,14-triphenyl-8-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-5,17-diamine
CID 169076861
8,8-diphenyl-5-(10-phenylanthracen-9-yl)-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-diphenyl-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-diphenyl-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;7,7-diphenyl-20-(2,4,6-trimethylphenyl)spiro[14,20-diaza-7-sila-1-boranonacyclo[17.14.1.12,6.08,13.015,34.021,33.023,31.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15(34),16,18,21,23(31),24,26,28,32-pentadecaene-30,9'-fluorene]
CID 158480033
7,27-bis(4-tert-butylphenyl)-4,10-diphenyl-1,7,27-triaza-14,20-diboranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2,4,6(35),8(13),9,11,15,17,19(33),21,23,25,28(34),29,31-pentadecaene
CID 169068772

Frequently Asked Questions

What is the IUPAC name of 19-tert-butyl-25-(4-tert-butylphenyl)-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16(21),17,19,23(27),24-dodecaene-22,9'-fluorene];25-tert-butyl-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16,18,20,23(27),24-dodecaene-22,9'-fluorene];19,25-ditert-butyl-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16(21),17,19,23(27),24-dodecaene-22,9'-fluorene];9,9,22,22-tetraphenyl-2-aza-9,22-disila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(27),3,5,7,10,12,14(28),16,18,20,23,25-dodecaene;9,9,25-triphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16,18,20,23(27),24-dodecaene-22,9'-fluorene]?
The IUPAC name of 19-tert-butyl-25-(4-tert-butylphenyl)-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16(21),17,19,23(27),24-dodecaene-22,9'-fluorene];25-tert-butyl-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16,18,20,23(27),24-dodecaene-22,9'-fluorene];19,25-ditert-butyl-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16(21),17,19,23(27),24-dodecaene-22,9'-fluorene];9,9,22,22-tetraphenyl-2-aza-9,22-disila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(27),3,5,7,10,12,14(28),16,18,20,23,25-dodecaene;9,9,25-triphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16,18,20,23(27),24-dodecaene-22,9'-fluorene] (CID 163578509) is 19-tert-butyl-25-(4-tert-butylphenyl)-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16(21),17,19,23(27),24-dodecaene-22,9'-fluorene];25-tert-butyl-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16,18,20,23(27),24-dodecaene-22,9'-fluorene];19,25-ditert-butyl-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16(21),17,19,23(27),24-dodecaene-22,9'-fluorene];9,9,22,22-tetraphenyl-2-aza-9,22-disila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(27),3,5,7,10,12,14(28),16,18,20,23,25-dodecaene;9,9,25-triphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16,18,20,23(27),24-dodecaene-22,9'-fluorene].
What is the SMILES notation for 19-tert-butyl-25-(4-tert-butylphenyl)-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16(21),17,19,23(27),24-dodecaene-22,9'-fluorene];25-tert-butyl-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16,18,20,23(27),24-dodecaene-22,9'-fluorene];19,25-ditert-butyl-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16(21),17,19,23(27),24-dodecaene-22,9'-fluorene];9,9,22,22-tetraphenyl-2-aza-9,22-disila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(27),3,5,7,10,12,14(28),16,18,20,23,25-dodecaene;9,9,25-triphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16,18,20,23(27),24-dodecaene-22,9'-fluorene]?
The canonical SMILES for 19-tert-butyl-25-(4-tert-butylphenyl)-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16(21),17,19,23(27),24-dodecaene-22,9'-fluorene];25-tert-butyl-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16,18,20,23(27),24-dodecaene-22,9'-fluorene];19,25-ditert-butyl-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16(21),17,19,23(27),24-dodecaene-22,9'-fluorene];9,9,22,22-tetraphenyl-2-aza-9,22-disila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(27),3,5,7,10,12,14(28),16,18,20,23,25-dodecaene;9,9,25-triphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16,18,20,23(27),24-dodecaene-22,9'-fluorene] is CC(C)(C)c1cc2c3c(c1)C1(c4ccccc4B3c3cccc4c3N2c2ccccc2[Si]4(c2ccccc2)c2ccccc2)c2ccccc2-c2ccccc21.CC(C)(C)c1ccc(-c2cc3c4c(c2)C2(c5cc(C(C)(C)C)ccc5B4c4cccc5c4N3c3ccccc3[Si]5(c3ccccc3)c3ccccc3)c3ccccc3-c3ccccc32)cc1.CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C(C)(C)C)cc3c1B2c1cccc2c1N3c1ccccc1[Si]2(c1ccccc1)c1ccccc1.c1ccc(-c2cc3c4c(c2)C2(c5ccccc5B4c4cccc5c4N3c3ccccc3[Si]5(c3ccccc3)c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3B3c4cccc5c4N(c4ccccc4[Si]5(c4ccccc4)c4ccccc4)c4cccc2c43)cc1.
What is the InChIKey of 19-tert-butyl-25-(4-tert-butylphenyl)-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16(21),17,19,23(27),24-dodecaene-22,9'-fluorene];25-tert-butyl-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16,18,20,23(27),24-dodecaene-22,9'-fluorene];19,25-ditert-butyl-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16(21),17,19,23(27),24-dodecaene-22,9'-fluorene];9,9,22,22-tetraphenyl-2-aza-9,22-disila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(27),3,5,7,10,12,14(28),16,18,20,23,25-dodecaene;9,9,25-triphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16,18,20,23(27),24-dodecaene-22,9'-fluorene]?
The InChIKey is GFOUUAIGKMBEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H52BNSi.C57H48BNSi.C55H36BNSi.C53H40BNSi.C48H34BNSi2/c1-61(2,3)43-34-32-41(33-35-43)42-38-52-59-56(39-42)65-55-29-17-18-30-57(55)66(45-20-9-7-10-21-45,46-22-11-8-12-23-46)58-31-19-28-54(60(58)65)64(59)53-37-36-44(62(4,5)6)40-51(53)63(52)49-26-15-13-24-47(49)48-25-14-16-27-50(48)63;1-55(2,3)37-32-33-47-45(34-37)57(43-26-15-13-24-41(43)42-25-14-16-27-44(42)57)46-35-38(56(4,5)6)36-50-53(46)58(47)48-28-19-31-52-54(48)59(50)49-29-17-18-30-51(49)60(52,39-20-9-7-10-21-39)40-22-11-8-12-23-40;1-4-19-37(20-5-1)38-35-46-53-50(36-38)57-49-32-16-17-33-51(49)58(39-21-6-2-7-22-39,40-23-8-3-9-24-40)52-34-18-31-48(54(52)57)56(53)47-30-15-14-29-45(47)55(46)43-27-12-10-25-41(43)42-26-11-13-28-44(42)55;1-52(2,3)35-33-43-50-47(34-35)55-46-30-16-17-31-48(46)56(36-19-6-4-7-20-36,37-21-8-5-9-22-37)49-32-18-29-45(51(49)55)54(50)44-28-15-14-27-42(44)53(43)40-25-12-10-23-38(40)39-24-11-13-26-41(39)53;1-5-19-35(20-6-1)51(36-21-7-2-8-22-36)43-31-15-13-27-39(43)49-40-28-17-34-46-48(40)50(42-30-18-33-45(51)47(42)49)41-29-14-16-32-44(41)52(46,37-23-9-3-10-24-37)38-25-11-4-12-26-38/h7-40H,1-6H3;7-36H,1-6H3;1-36H;4-34H,1-3H3;1-34H.
What are the key properties of 19-tert-butyl-25-(4-tert-butylphenyl)-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16(21),17,19,23(27),24-dodecaene-22,9'-fluorene];25-tert-butyl-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16,18,20,23(27),24-dodecaene-22,9'-fluorene];19,25-ditert-butyl-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16(21),17,19,23(27),24-dodecaene-22,9'-fluorene];9,9,22,22-tetraphenyl-2-aza-9,22-disila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(27),3,5,7,10,12,14(28),16,18,20,23,25-dodecaene;9,9,25-triphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16,18,20,23(27),24-dodecaene-22,9'-fluorene]?
19-tert-butyl-25-(4-tert-butylphenyl)-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16(21),17,19,23(27),24-dodecaene-22,9'-fluorene];25-tert-butyl-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16,18,20,23(27),24-dodecaene-22,9'-fluorene];19,25-ditert-butyl-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16(21),17,19,23(27),24-dodecaene-22,9'-fluorene];9,9,22,22-tetraphenyl-2-aza-9,22-disila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(27),3,5,7,10,12,14(28),16,18,20,23,25-dodecaene;9,9,25-triphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16,18,20,23(27),24-dodecaene-22,9'-fluorene] has a molecular weight of 3819.33 g/mol, XLogP of 38.60, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 19-tert-butyl-25-(4-tert-butylphenyl)-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16(21),17,19,23(27),24-dodecaene-22,9'-fluorene];25-tert-butyl-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16,18,20,23(27),24-dodecaene-22,9'-fluorene];19,25-ditert-butyl-9,9-diphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16(21),17,19,23(27),24-dodecaene-22,9'-fluorene];9,9,22,22-tetraphenyl-2-aza-9,22-disila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(27),3,5,7,10,12,14(28),16,18,20,23,25-dodecaene;9,9,25-triphenylspiro[2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),16,18,20,23(27),24-dodecaene-22,9'-fluorene] is sourced from PubChem (CID 163578509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).