11,17-bis(4-tert-butylphenyl)-14-carbazol-9-yl-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;7,21-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-carbazol-9-yl-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;5,23-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-phenothiazin-10-yl-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-phenoxazin-10-yl-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

C248H240B4N12O9S — CID 161050859

IUPAC11,17-bis(4-tert-butylphenyl)-14-carbazol-9-yl-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;7,21-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-carbazol-9-yl-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;5,23-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-phenothiazin-10-yl-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-phenoxazin-10-yl-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
SMILESCC(C)(C)c1ccc(N2c3cc(-n4c5ccccc5c5ccccc54)cc4c3B(c3oc5ccc(C(C)(C)C)cc5c32)c2oc3ccc(C(C)(C)C)cc3c2N4c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc(N2c3cc(-n4c5ccccc5c5ccccc54)cc4c3B(c3oc5ccccc5c32)c2oc3ccccc3c2N4c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc(N2c3cc(N4c5ccccc5Oc5ccccc54)cc4c3B(c3oc5c(C(C)(C)C)cc(C(C)(C)C)cc5c32)c2oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c2N4c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc(N2c3cc(N4c5ccccc5Sc5ccccc54)cc4c3B(c3oc5c(C(C)(C)C)cccc5c32)c2oc3c(C(C)(C)C)cccc3c2N4c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C70H76BN3O3.C62H60BN3O2S.C62H60BN3O2.C54H44BN3O2/c1-65(2,3)41-27-31-45(32-28-41)73-54-39-47(72-52-23-19-21-25-56(52)75-57-26-22-20-24-53(57)72)40-55-58(54)71(63-59(73)48-35-43(67(7,8)9)37-50(61(48)76-63)69(13,14)15)64-60(74(55)46-33-29-42(30-34-46)66(4,5)6)49-36-44(68(10,11)12)38-51(62(49)77-64)70(16,17)18;1-59(2,3)37-27-31-39(32-28-37)65-48-35-41(64-46-23-13-15-25-50(46)69-51-26-16-14-24-47(51)64)36-49-52(48)63(57-53(65)42-19-17-21-44(55(42)67-57)61(7,8)9)58-54(43-20-18-22-45(56(43)68-58)62(10,11)12)66(49)40-33-29-38(30-34-40)60(4,5)6;1-59(2,3)37-21-27-41(28-22-37)65-50-35-43(64-48-19-15-13-17-44(48)45-18-14-16-20-49(45)64)36-51-54(50)63(57-55(65)46-33-39(61(7,8)9)25-31-52(46)67-57)58-56(47-34-40(62(10,11)12)26-32-53(47)68-58)66(51)42-29-23-38(24-30-42)60(4,5)6;1-53(2,3)33-23-27-35(28-24-33)57-44-31-37(56-42-19-11-7-15-38(42)39-16-8-12-20-43(39)56)32-45-48(44)55(51-49(57)40-17-9-13-21-46(40)59-51)52-50(41-18-10-14-22-47(41)60-52)58(45)36-29-25-34(26-30-36)54(4,5)6/h19-40H,1-18H3;13-36H,1-12H3;13-36H,1-12H3;7-32H,1-6H3
InChIKeyUCCSZHNWTXTNSU-UHFFFAOYSA-N
MW3608.04 g/mol
LogP63.51
Rot. Bonds12

About 11,17-bis(4-tert-butylphenyl)-14-carbazol-9-yl-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;7,21-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-carbazol-9-yl-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;5,23-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-phenothiazin-10-yl-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-phenoxazin-10-yl-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

11,17-bis(4-tert-butylphenyl)-14-carbazol-9-yl-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;7,21-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-carbazol-9-yl-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;5,23-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-phenothiazin-10-yl-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-phenoxazin-10-yl-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 (PubChem CID 161050859) has the molecular formula C248H240B4N12O9S and a molecular weight of 3608.04 g/mol. Its IUPAC name is 11,17-bis(4-tert-butylphenyl)-14-carbazol-9-yl-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;7,21-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-carbazol-9-yl-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;5,23-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-phenothiazin-10-yl-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-phenoxazin-10-yl-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.

Molecular Properties

Compound Name11,17-bis(4-tert-butylphenyl)-14-carbazol-9-yl-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;7,21-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-carbazol-9-yl-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;5,23-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-phenothiazin-10-yl-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-phenoxazin-10-yl-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
PubChem CID161050859
Molecular FormulaC248H240B4N12O9S
Molecular Weight3608.04 g/mol
Exact Mass3605.88
IUPAC Name11,17-bis(4-tert-butylphenyl)-14-carbazol-9-yl-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;7,21-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-carbazol-9-yl-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;5,23-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-phenothiazin-10-yl-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-phenoxazin-10-yl-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
SMILESCC(C)(C)c1ccc(N2c3cc(-n4c5ccccc5c5ccccc54)cc4c3B(c3oc5ccc(C(C)(C)C)cc5c32)c2oc3ccc(C(C)(C)C)cc3c2N4c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc(N2c3cc(-n4c5ccccc5c5ccccc54)cc4c3B(c3oc5ccccc5c32)c2oc3ccccc3c2N4c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc(N2c3cc(N4c5ccccc5Oc5ccccc54)cc4c3B(c3oc5c(C(C)(C)C)cc(C(C)(C)C)cc5c32)c2oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c2N4c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc(N2c3cc(N4c5ccccc5Sc5ccccc54)cc4c3B(c3oc5c(C(C)(C)C)cccc5c32)c2oc3c(C(C)(C)C)cccc3c2N4c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C70H76BN3O3.C62H60BN3O2S.C62H60BN3O2.C54H44BN3O2/c1-65(2,3)41-27-31-45(32-28-41)73-54-39-47(72-52-23-19-21-25-56(52)75-57-26-22-20-24-53(57)72)40-55-58(54)71(63-59(73)48-35-43(67(7,8)9)37-50(61(48)76-63)69(13,14)15)64-60(74(55)46-33-29-42(30-34-46)66(4,5)6)49-36-44(68(10,11)12)38-51(62(49)77-64)70(16,17)18;1-59(2,3)37-27-31-39(32-28-37)65-48-35-41(64-46-23-13-15-25-50(46)69-51-26-16-14-24-47(51)64)36-49-52(48)63(57-53(65)42-19-17-21-44(55(42)67-57)61(7,8)9)58-54(43-20-18-22-45(56(43)68-58)62(10,11)12)66(49)40-33-29-38(30-34-40)60(4,5)6;1-59(2,3)37-21-27-41(28-22-37)65-50-35-43(64-48-19-15-13-17-44(48)45-18-14-16-20-49(45)64)36-51-54(50)63(57-55(65)46-33-39(61(7,8)9)25-31-52(46)67-57)58-56(47-34-40(62(10,11)12)26-32-53(47)68-58)66(51)42-29-23-38(24-30-42)60(4,5)6;1-53(2,3)33-23-27-35(28-24-33)57-44-31-37(56-42-19-11-7-15-38(42)39-16-8-12-20-43(39)56)32-45-48(44)55(51-49(57)40-17-9-13-21-46(40)59-51)52-50(41-18-10-14-22-47(41)60-52)58(45)36-29-25-34(26-30-36)54(4,5)6/h19-40H,1-18H3;13-36H,1-12H3;13-36H,1-12H3;7-32H,1-6H3
InChIKeyUCCSZHNWTXTNSU-UHFFFAOYSA-N
XLogP63.51
TPSA156.61 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds12
Heavy Atoms274
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003608.04
LogP ≤ 563.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 11,17-bis(4-tert-butylphenyl)-14-carbazol-9-yl-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;7,21-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-carbazol-9-yl-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;5,23-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-phenothiazin-10-yl-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-phenoxazin-10-yl-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 with MolForge

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Launch Full Analysis

Related Compounds

5,7,21,23-tetratert-butyl-11,17-bis(4-tert-butylphenyl)-14-phenoxazin-10-yl-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 161050863
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
5,23-ditert-butyl-11,17-bis(4-tert-butylphenyl)-N,N-diphenyl-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-undecaen-14-amine
CID 161258777
10-[11-carbazol-9-yl-8,14-bis(3,5-ditert-butylphenyl)-17-phenoxazin-10-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(20),16,18-nonaen-5-yl]phenoxazine
CID 170669479
8,13,19,24-tetratert-butyl-16-(4-tert-butylphenyl)-31-carbazol-9-yl-11,21-dioxa-4,16,28-triaza-1-boradecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5(10),6,8,13,17(35),18,20(36),22(27),23,25,29(34),30,32-pentadecaene
CID 140848841
18,28-di(phenothiazin-10-yl)-15,21,25,31-tetraphenyl-7,39-dioxa-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene
CID 164791926
7-tert-butyl-11-(4-tert-butylphenyl)-21,21,24,24-tetramethyl-17-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-14-phenoxazin-10-yl-3-oxa-11,17-diaza-1-boraheptacyclo[14.11.1.02,10.04,9.012,28.018,27.020,25]octacosa-2(10),4(9),5,7,12(28),13,15,18,20(25),26-decaene
CID 167372744
15-(3-tert-butylphenoxazin-10-yl)-12,18-bis(4-tert-butylphenyl)-5,5,8,8,23,23,26,26-octamethyl-30-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.020,29.022,27]dotriaconta-2,4(9),10,13(32),14,16,19(31),20,22(27),28-decaene
CID 167372781
15,24,26,33-tetratert-butyl-30-(4-tert-butylphenyl)-3-phenyl-22-oxa-3,19,30-triaza-20-boradecacyclo[17.16.1.120,31.02,10.04,9.012,36.013,18.021,29.023,28.035,37]heptatriaconta-1,4,6,8,10,12(36),13(18),14,16,21(29),23(28),24,26,31,33,35(37)-hexadecaene
CID 176722003
8-tert-butyl-12-dibenzofuran-2-yl-N,N-diphenyl-4-oxa-12,18,30-triaza-2-boradecacyclo[16.16.1.12,13.119,23.03,11.05,10.024,29.031,35.017,37.030,36]heptatriaconta-1(35),3(11),5(10),6,8,13(37),14,16,19,21,23(36),24,26,28,31,33-hexadecaen-15-amine
CID 176814216
14-carbazol-9-yl-11,17-bis(2-phenyl-1-benzofuran-3-yl)-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
CID 161465446
4-tert-butyl-8-(4-tert-butylphenyl)-11-methyl-14-phenyl-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16,18,20-decaene
CID 164708855

Frequently Asked Questions

What is the IUPAC name of 11,17-bis(4-tert-butylphenyl)-14-carbazol-9-yl-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;7,21-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-carbazol-9-yl-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;5,23-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-phenothiazin-10-yl-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-phenoxazin-10-yl-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?
The IUPAC name of 11,17-bis(4-tert-butylphenyl)-14-carbazol-9-yl-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;7,21-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-carbazol-9-yl-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;5,23-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-phenothiazin-10-yl-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-phenoxazin-10-yl-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 161050859) is 11,17-bis(4-tert-butylphenyl)-14-carbazol-9-yl-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;7,21-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-carbazol-9-yl-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;5,23-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-phenothiazin-10-yl-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-phenoxazin-10-yl-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.
What is the SMILES notation for 11,17-bis(4-tert-butylphenyl)-14-carbazol-9-yl-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;7,21-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-carbazol-9-yl-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;5,23-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-phenothiazin-10-yl-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-phenoxazin-10-yl-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?
The canonical SMILES for 11,17-bis(4-tert-butylphenyl)-14-carbazol-9-yl-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;7,21-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-carbazol-9-yl-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;5,23-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-phenothiazin-10-yl-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-phenoxazin-10-yl-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 is CC(C)(C)c1ccc(N2c3cc(-n4c5ccccc5c5ccccc54)cc4c3B(c3oc5ccc(C(C)(C)C)cc5c32)c2oc3ccc(C(C)(C)C)cc3c2N4c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc(N2c3cc(-n4c5ccccc5c5ccccc54)cc4c3B(c3oc5ccccc5c32)c2oc3ccccc3c2N4c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc(N2c3cc(N4c5ccccc5Oc5ccccc54)cc4c3B(c3oc5c(C(C)(C)C)cc(C(C)(C)C)cc5c32)c2oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c2N4c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc(N2c3cc(N4c5ccccc5Sc5ccccc54)cc4c3B(c3oc5c(C(C)(C)C)cccc5c32)c2oc3c(C(C)(C)C)cccc3c2N4c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 11,17-bis(4-tert-butylphenyl)-14-carbazol-9-yl-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;7,21-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-carbazol-9-yl-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;5,23-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-phenothiazin-10-yl-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-phenoxazin-10-yl-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?
The InChIKey is UCCSZHNWTXTNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H76BN3O3.C62H60BN3O2S.C62H60BN3O2.C54H44BN3O2/c1-65(2,3)41-27-31-45(32-28-41)73-54-39-47(72-52-23-19-21-25-56(52)75-57-26-22-20-24-53(57)72)40-55-58(54)71(63-59(73)48-35-43(67(7,8)9)37-50(61(48)76-63)69(13,14)15)64-60(74(55)46-33-29-42(30-34-46)66(4,5)6)49-36-44(68(10,11)12)38-51(62(49)77-64)70(16,17)18;1-59(2,3)37-27-31-39(32-28-37)65-48-35-41(64-46-23-13-15-25-50(46)69-51-26-16-14-24-47(51)64)36-49-52(48)63(57-53(65)42-19-17-21-44(55(42)67-57)61(7,8)9)58-54(43-20-18-22-45(56(43)68-58)62(10,11)12)66(49)40-33-29-38(30-34-40)60(4,5)6;1-59(2,3)37-21-27-41(28-22-37)65-50-35-43(64-48-19-15-13-17-44(48)45-18-14-16-20-49(45)64)36-51-54(50)63(57-55(65)46-33-39(61(7,8)9)25-31-52(46)67-57)58-56(47-34-40(62(10,11)12)26-32-53(47)68-58)66(51)42-29-23-38(24-30-42)60(4,5)6;1-53(2,3)33-23-27-35(28-24-33)57-44-31-37(56-42-19-11-7-15-38(42)39-16-8-12-20-43(39)56)32-45-48(44)55(51-49(57)40-17-9-13-21-46(40)59-51)52-50(41-18-10-14-22-47(41)60-52)58(45)36-29-25-34(26-30-36)54(4,5)6/h19-40H,1-18H3;13-36H,1-12H3;13-36H,1-12H3;7-32H,1-6H3.
What are the key properties of 11,17-bis(4-tert-butylphenyl)-14-carbazol-9-yl-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;7,21-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-carbazol-9-yl-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;5,23-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-phenothiazin-10-yl-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-phenoxazin-10-yl-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?
11,17-bis(4-tert-butylphenyl)-14-carbazol-9-yl-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;7,21-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-carbazol-9-yl-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;5,23-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-phenothiazin-10-yl-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-phenoxazin-10-yl-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 has a molecular weight of 3608.04 g/mol, XLogP of 63.51, 12 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 11,17-bis(4-tert-butylphenyl)-14-carbazol-9-yl-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;7,21-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-carbazol-9-yl-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;5,23-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-phenothiazin-10-yl-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-phenoxazin-10-yl-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 is sourced from PubChem (CID 161050859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).