15,15-bis(4-tert-butylphenyl)-12-N,12-N,18-N,18-N-tetraphenyl-10,20-dithiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,18-N-bis(3,5-diphenylphenyl)-15,15-dimethyl-12-N,18-N-diphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,18-N-bis(2-fluoro-4-phenylphenyl)-12-N,18-N,15,15-tetraphenyl-4-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;3-N-dibenzofuran-3-yl-8-N-dibenzofuran-4-yl-15,15,24,24-tetramethyl-3-N,8-N,11,11-tetraphenyl-6-azaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),18,20,22,26-dodecaene-3,8-diamine;12-N,18-N-dinaphthalen-1-yl-12-N,18-N,15,15-tetraphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N-tetrakis(4-methylphenyl)spiro[10,20-dithiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-15,9'-fluorene]-12,18-diamine;12-N,23-N,15,15-tetraphenyl-12-N,23-N-bis(6-phenyl-2-pyridinyl)-4,19-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2,5,7,9,11,13,17,20(25),21,23,26-dodecaene-12,23-diamine

C500H345F2N17O9S5 — CID 158035546

IUPAC15,15-bis(4-tert-butylphenyl)-12-N,12-N,18-N,18-N-tetraphenyl-10,20-dithiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,18-N-bis(3,5-diphenylphenyl)-15,15-dimethyl-12-N,18-N-diphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,18-N-bis(2-fluoro-4-phenylphenyl)-12-N,18-N,15,15-tetraphenyl-4-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;3-N-dibenzofuran-3-yl-8-N-dibenzofuran-4-yl-15,15,24,24-tetramethyl-3-N,8-N,11,11-tetraphenyl-6-azaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),18,20,22,26-dodecaene-3,8-diamine;12-N,18-N-dinaphthalen-1-yl-12-N,18-N,15,15-tetraphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N-tetrakis(4-methylphenyl)spiro[10,20-dithiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-15,9'-fluorene]-12,18-diamine;12-N,23-N,15,15-tetraphenyl-12-N,23-N-bis(6-phenyl-2-pyridinyl)-4,19-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2,5,7,9,11,13,17,20(25),21,23,26-dodecaene-12,23-diamine
SMILESCC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)c3cc(N(c4ccccc4)c4ccccc4)c4sc5ccccc5c4c3-c3c2cc(N(c2ccccc2)c2ccccc2)c2sc4ccccc4c32)cc1.CC1(C)c2cc(N(c3ccccc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3oc4ccccc4c3c2-c2c1cc(N(c1ccccc1)c1cc(-c3ccccc3)cc(-c3ccccc3)c1)c1oc3ccccc3c21.CC1(C)c2ccccc2-c2c1ccc1c2C(C)(C)c2cc3c(c(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)c2-1)-c1ncc(N(c2ccccc2)c2cccc4c2oc2ccccc24)cc1C3(c1ccccc1)c1ccccc1.Cc1ccc(N(c2ccc(C)cc2)c2cc3c(c4c2sc2ccccc24)-c2c(cc(N(c4ccc(C)cc4)c4ccc(C)cc4)c4sc5ccccc5c24)C32c3ccccc3-c3ccccc32)cc1.Fc1cc(-c2ccccc2)ccc1N(c1ccccc1)c1cc2c(c3oc4ccccc4c13)-c1c(cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3F)c3c1sc1ccccc13)C2(c1ccccc1)c1ccccc1.c1ccc(-c2cccc(N(c3ccccc3)c3ccc4oc5cc6c(cc5c4c3)-c3c(cc(N(c4ccccc4)c4cccc(-c5ccccc5)n4)c4c3oc3ccccc34)C6(c3ccccc3)c3ccccc3)n2)cc1.c1ccc(N(c2cccc3ccccc23)c2cc3c(c4c2oc2ccccc24)-c2c(cc(N(c4ccccc4)c4cccc5ccccc45)c4oc5ccccc5c24)C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C78H55N3O2.C75H52N2O2.C73H46F2N2OS.C71H46N4O2.C69H44N2O2.C69H56N2S2.C65H46N2S2/c1-76(2)60-36-20-17-34-58(60)69-61(76)43-42-59-70-62(77(3,4)72(59)69)46-63-71(74(70)81(51-30-15-8-16-31-51)52-40-41-56-54-32-18-21-38-66(54)82-68(56)45-52)73-64(78(63,48-24-9-5-10-25-48)49-26-11-6-12-27-49)44-53(47-79-73)80(50-28-13-7-14-29-50)65-37-23-35-57-55-33-19-22-39-67(55)83-75(57)65;1-75(2)63-47-65(76(57-33-17-7-18-34-57)59-43-53(49-25-9-3-10-26-49)41-54(44-59)50-27-11-4-12-28-50)73-69(61-37-21-23-39-67(61)78-73)71(63)72-64(75)48-66(74-70(72)62-38-22-24-40-68(62)79-74)77(58-35-19-8-20-36-58)60-45-55(51-29-13-5-14-30-51)42-56(46-60)52-31-15-6-16-32-52;74-59-43-49(47-23-7-1-8-24-47)39-41-61(59)76(53-31-15-5-16-32-53)63-45-57-69(71-67(63)55-35-19-21-37-65(55)78-71)70-58(73(57,51-27-11-3-12-28-51)52-29-13-4-14-30-52)46-64(68-56-36-20-22-38-66(56)79-72(68)70)77(54-33-17-6-18-34-54)62-42-40-50(44-60(62)75)48-25-9-2-10-26-48;1-7-23-47(24-8-1)60-36-21-39-66(72-60)74(51-31-15-5-16-32-51)53-41-42-64-55(43-53)56-44-57-58(46-65(56)76-64)71(49-27-11-3-12-28-49,50-29-13-4-14-30-50)59-45-62(69-54-35-19-20-38-63(54)77-70(69)68(57)59)75(52-33-17-6-18-34-52)67-40-22-37-61(73-67)48-25-9-2-10-26-48;1-5-27-47(28-6-1)69(48-29-7-2-8-30-48)55-43-59(70(49-31-9-3-10-32-49)57-39-21-25-45-23-13-15-35-51(45)57)67-63(53-37-17-19-41-61(53)72-67)65(55)66-56(69)44-60(68-64(66)54-38-18-20-42-62(54)73-68)71(50-33-11-4-12-34-50)58-40-22-26-46-24-14-16-36-52(46)58;1-67(2,3)45-35-39-47(40-36-45)69(48-41-37-46(38-42-48)68(4,5)6)55-43-57(70(49-23-11-7-12-24-49)50-25-13-8-14-26-50)65-61(53-31-19-21-33-59(53)72-65)63(55)64-56(69)44-58(66-62(64)54-32-20-22-34-60(54)73-66)71(51-27-15-9-16-28-51)52-29-17-10-18-30-52;1-39-21-29-43(30-22-39)66(44-31-23-40(2)24-32-44)55-37-53-61(59-49-15-7-11-19-57(49)68-63(55)59)62-54(65(53)51-17-9-5-13-47(51)48-14-6-10-18-52(48)65)38-56(64-60(62)50-16-8-12-20-58(50)69-64)67(45-33-25-41(3)26-34-45)46-35-27-42(4)28-36-46/h5-47H,1-4H3;3-48H,1-2H3;1-46H;1-46H;1-44H;7-44H,1-6H3;5-38H,1-4H3
InChIKeyFHRXDEXWZUMYPB-UHFFFAOYSA-N
MW6933.70 g/mol
LogP140.33
Rot. Bonds60

About 15,15-bis(4-tert-butylphenyl)-12-N,12-N,18-N,18-N-tetraphenyl-10,20-dithiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,18-N-bis(3,5-diphenylphenyl)-15,15-dimethyl-12-N,18-N-diphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,18-N-bis(2-fluoro-4-phenylphenyl)-12-N,18-N,15,15-tetraphenyl-4-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;3-N-dibenzofuran-3-yl-8-N-dibenzofuran-4-yl-15,15,24,24-tetramethyl-3-N,8-N,11,11-tetraphenyl-6-azaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),18,20,22,26-dodecaene-3,8-diamine;12-N,18-N-dinaphthalen-1-yl-12-N,18-N,15,15-tetraphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N-tetrakis(4-methylphenyl)spiro[10,20-dithiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-15,9'-fluorene]-12,18-diamine;12-N,23-N,15,15-tetraphenyl-12-N,23-N-bis(6-phenyl-2-pyridinyl)-4,19-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2,5,7,9,11,13,17,20(25),21,23,26-dodecaene-12,23-diamine

15,15-bis(4-tert-butylphenyl)-12-N,12-N,18-N,18-N-tetraphenyl-10,20-dithiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,18-N-bis(3,5-diphenylphenyl)-15,15-dimethyl-12-N,18-N-diphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,18-N-bis(2-fluoro-4-phenylphenyl)-12-N,18-N,15,15-tetraphenyl-4-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;3-N-dibenzofuran-3-yl-8-N-dibenzofuran-4-yl-15,15,24,24-tetramethyl-3-N,8-N,11,11-tetraphenyl-6-azaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),18,20,22,26-dodecaene-3,8-diamine;12-N,18-N-dinaphthalen-1-yl-12-N,18-N,15,15-tetraphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N-tetrakis(4-methylphenyl)spiro[10,20-dithiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-15,9'-fluorene]-12,18-diamine;12-N,23-N,15,15-tetraphenyl-12-N,23-N-bis(6-phenyl-2-pyridinyl)-4,19-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2,5,7,9,11,13,17,20(25),21,23,26-dodecaene-12,23-diamine (PubChem CID 158035546) has the molecular formula C500H345F2N17O9S5 and a molecular weight of 6933.70 g/mol. Its IUPAC name is 15,15-bis(4-tert-butylphenyl)-12-N,12-N,18-N,18-N-tetraphenyl-10,20-dithiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,18-N-bis(3,5-diphenylphenyl)-15,15-dimethyl-12-N,18-N-diphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,18-N-bis(2-fluoro-4-phenylphenyl)-12-N,18-N,15,15-tetraphenyl-4-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;3-N-dibenzofuran-3-yl-8-N-dibenzofuran-4-yl-15,15,24,24-tetramethyl-3-N,8-N,11,11-tetraphenyl-6-azaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),18,20,22,26-dodecaene-3,8-diamine;12-N,18-N-dinaphthalen-1-yl-12-N,18-N,15,15-tetraphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N-tetrakis(4-methylphenyl)spiro[10,20-dithiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-15,9'-fluorene]-12,18-diamine;12-N,23-N,15,15-tetraphenyl-12-N,23-N-bis(6-phenyl-2-pyridinyl)-4,19-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2,5,7,9,11,13,17,20(25),21,23,26-dodecaene-12,23-diamine.

Molecular Properties

Compound Name15,15-bis(4-tert-butylphenyl)-12-N,12-N,18-N,18-N-tetraphenyl-10,20-dithiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,18-N-bis(3,5-diphenylphenyl)-15,15-dimethyl-12-N,18-N-diphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,18-N-bis(2-fluoro-4-phenylphenyl)-12-N,18-N,15,15-tetraphenyl-4-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;3-N-dibenzofuran-3-yl-8-N-dibenzofuran-4-yl-15,15,24,24-tetramethyl-3-N,8-N,11,11-tetraphenyl-6-azaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),18,20,22,26-dodecaene-3,8-diamine;12-N,18-N-dinaphthalen-1-yl-12-N,18-N,15,15-tetraphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N-tetrakis(4-methylphenyl)spiro[10,20-dithiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-15,9'-fluorene]-12,18-diamine;12-N,23-N,15,15-tetraphenyl-12-N,23-N-bis(6-phenyl-2-pyridinyl)-4,19-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2,5,7,9,11,13,17,20(25),21,23,26-dodecaene-12,23-diamine
PubChem CID158035546
Molecular FormulaC500H345F2N17O9S5
Molecular Weight6933.70 g/mol
Exact Mass6927.56
IUPAC Name15,15-bis(4-tert-butylphenyl)-12-N,12-N,18-N,18-N-tetraphenyl-10,20-dithiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,18-N-bis(3,5-diphenylphenyl)-15,15-dimethyl-12-N,18-N-diphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,18-N-bis(2-fluoro-4-phenylphenyl)-12-N,18-N,15,15-tetraphenyl-4-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;3-N-dibenzofuran-3-yl-8-N-dibenzofuran-4-yl-15,15,24,24-tetramethyl-3-N,8-N,11,11-tetraphenyl-6-azaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),18,20,22,26-dodecaene-3,8-diamine;12-N,18-N-dinaphthalen-1-yl-12-N,18-N,15,15-tetraphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N-tetrakis(4-methylphenyl)spiro[10,20-dithiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-15,9'-fluorene]-12,18-diamine;12-N,23-N,15,15-tetraphenyl-12-N,23-N-bis(6-phenyl-2-pyridinyl)-4,19-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2,5,7,9,11,13,17,20(25),21,23,26-dodecaene-12,23-diamine
SMILESCC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)c3cc(N(c4ccccc4)c4ccccc4)c4sc5ccccc5c4c3-c3c2cc(N(c2ccccc2)c2ccccc2)c2sc4ccccc4c32)cc1.CC1(C)c2cc(N(c3ccccc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3oc4ccccc4c3c2-c2c1cc(N(c1ccccc1)c1cc(-c3ccccc3)cc(-c3ccccc3)c1)c1oc3ccccc3c21.CC1(C)c2ccccc2-c2c1ccc1c2C(C)(C)c2cc3c(c(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)c2-1)-c1ncc(N(c2ccccc2)c2cccc4c2oc2ccccc24)cc1C3(c1ccccc1)c1ccccc1.Cc1ccc(N(c2ccc(C)cc2)c2cc3c(c4c2sc2ccccc24)-c2c(cc(N(c4ccc(C)cc4)c4ccc(C)cc4)c4sc5ccccc5c24)C32c3ccccc3-c3ccccc32)cc1.Fc1cc(-c2ccccc2)ccc1N(c1ccccc1)c1cc2c(c3oc4ccccc4c13)-c1c(cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3F)c3c1sc1ccccc13)C2(c1ccccc1)c1ccccc1.c1ccc(-c2cccc(N(c3ccccc3)c3ccc4oc5cc6c(cc5c4c3)-c3c(cc(N(c4ccccc4)c4cccc(-c5ccccc5)n4)c4c3oc3ccccc34)C6(c3ccccc3)c3ccccc3)n2)cc1.c1ccc(N(c2cccc3ccccc23)c2cc3c(c4c2oc2ccccc24)-c2c(cc(N(c4ccccc4)c4cccc5ccccc45)c4oc5ccccc5c24)C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C78H55N3O2.C75H52N2O2.C73H46F2N2OS.C71H46N4O2.C69H44N2O2.C69H56N2S2.C65H46N2S2/c1-76(2)60-36-20-17-34-58(60)69-61(76)43-42-59-70-62(77(3,4)72(59)69)46-63-71(74(70)81(51-30-15-8-16-31-51)52-40-41-56-54-32-18-21-38-66(54)82-68(56)45-52)73-64(78(63,48-24-9-5-10-25-48)49-26-11-6-12-27-49)44-53(47-79-73)80(50-28-13-7-14-29-50)65-37-23-35-57-55-33-19-22-39-67(55)83-75(57)65;1-75(2)63-47-65(76(57-33-17-7-18-34-57)59-43-53(49-25-9-3-10-26-49)41-54(44-59)50-27-11-4-12-28-50)73-69(61-37-21-23-39-67(61)78-73)71(63)72-64(75)48-66(74-70(72)62-38-22-24-40-68(62)79-74)77(58-35-19-8-20-36-58)60-45-55(51-29-13-5-14-30-51)42-56(46-60)52-31-15-6-16-32-52;74-59-43-49(47-23-7-1-8-24-47)39-41-61(59)76(53-31-15-5-16-32-53)63-45-57-69(71-67(63)55-35-19-21-37-65(55)78-71)70-58(73(57,51-27-11-3-12-28-51)52-29-13-4-14-30-52)46-64(68-56-36-20-22-38-66(56)79-72(68)70)77(54-33-17-6-18-34-54)62-42-40-50(44-60(62)75)48-25-9-2-10-26-48;1-7-23-47(24-8-1)60-36-21-39-66(72-60)74(51-31-15-5-16-32-51)53-41-42-64-55(43-53)56-44-57-58(46-65(56)76-64)71(49-27-11-3-12-28-49,50-29-13-4-14-30-50)59-45-62(69-54-35-19-20-38-63(54)77-70(69)68(57)59)75(52-33-17-6-18-34-52)67-40-22-37-61(73-67)48-25-9-2-10-26-48;1-5-27-47(28-6-1)69(48-29-7-2-8-30-48)55-43-59(70(49-31-9-3-10-32-49)57-39-21-25-45-23-13-15-35-51(45)57)67-63(53-37-17-19-41-61(53)72-67)65(55)66-56(69)44-60(68-64(66)54-38-18-20-42-62(54)73-68)71(50-33-11-4-12-34-50)58-40-22-26-46-24-14-16-36-52(46)58;1-67(2,3)45-35-39-47(40-36-45)69(48-41-37-46(38-42-48)68(4,5)6)55-43-57(70(49-23-11-7-12-24-49)50-25-13-8-14-26-50)65-61(53-31-19-21-33-59(53)72-65)63(55)64-56(69)44-58(66-62(64)54-32-20-22-34-60(54)73-66)71(51-27-15-9-16-28-51)52-29-17-10-18-30-52;1-39-21-29-43(30-22-39)66(44-31-23-40(2)24-32-44)55-37-53-61(59-49-15-7-11-19-57(49)68-63(55)59)62-54(65(53)51-17-9-5-13-47(51)48-14-6-10-18-52(48)65)38-56(64-60(62)50-16-8-12-20-58(50)69-64)67(45-33-25-41(3)26-34-45)46-35-27-42(4)28-36-46/h5-47H,1-4H3;3-48H,1-2H3;1-46H;1-46H;1-44H;7-44H,1-6H3;5-38H,1-4H3
InChIKeyFHRXDEXWZUMYPB-UHFFFAOYSA-N
XLogP140.33
TPSA202.29 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds60
Heavy Atoms533
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006933.70
LogP ≤ 5140.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze 15,15-bis(4-tert-butylphenyl)-12-N,12-N,18-N,18-N-tetraphenyl-10,20-dithiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,18-N-bis(3,5-diphenylphenyl)-15,15-dimethyl-12-N,18-N-diphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,18-N-bis(2-fluoro-4-phenylphenyl)-12-N,18-N,15,15-tetraphenyl-4-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;3-N-dibenzofuran-3-yl-8-N-dibenzofuran-4-yl-15,15,24,24-tetramethyl-3-N,8-N,11,11-tetraphenyl-6-azaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),18,20,22,26-dodecaene-3,8-diamine;12-N,18-N-dinaphthalen-1-yl-12-N,18-N,15,15-tetraphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N-tetrakis(4-methylphenyl)spiro[10,20-dithiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-15,9'-fluorene]-12,18-diamine;12-N,23-N,15,15-tetraphenyl-12-N,23-N-bis(6-phenyl-2-pyridinyl)-4,19-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2,5,7,9,11,13,17,20(25),21,23,26-dodecaene-12,23-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15,15-bis(4-tert-butylphenyl)-12-N,12-N,18-N,18-N-tetraphenyl-10,20-dithiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,18-N-bis(3,5-diphenylphenyl)-15,15-dimethyl-12-N,18-N-diphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,18-N-bis(2-fluoro-4-phenylphenyl)-12-N,18-N,15,15-tetraphenyl-4-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;3-N-dibenzofuran-3-yl-8-N-dibenzofuran-4-yl-15,15,24,24-tetramethyl-3-N,8-N,11,11-tetraphenyl-6-azaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),18,20,22,26-dodecaene-3,8-diamine;12-N,18-N-dinaphthalen-1-yl-12-N,18-N,15,15-tetraphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N-tetrakis(4-methylphenyl)spiro[10,20-dithiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-15,9'-fluorene]-12,18-diamine;12-N,23-N,15,15-tetraphenyl-12-N,23-N-bis(6-phenyl-2-pyridinyl)-4,19-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2,5,7,9,11,13,17,20(25),21,23,26-dodecaene-12,23-diamine?
The IUPAC name of 15,15-bis(4-tert-butylphenyl)-12-N,12-N,18-N,18-N-tetraphenyl-10,20-dithiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,18-N-bis(3,5-diphenylphenyl)-15,15-dimethyl-12-N,18-N-diphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,18-N-bis(2-fluoro-4-phenylphenyl)-12-N,18-N,15,15-tetraphenyl-4-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;3-N-dibenzofuran-3-yl-8-N-dibenzofuran-4-yl-15,15,24,24-tetramethyl-3-N,8-N,11,11-tetraphenyl-6-azaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),18,20,22,26-dodecaene-3,8-diamine;12-N,18-N-dinaphthalen-1-yl-12-N,18-N,15,15-tetraphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N-tetrakis(4-methylphenyl)spiro[10,20-dithiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-15,9'-fluorene]-12,18-diamine;12-N,23-N,15,15-tetraphenyl-12-N,23-N-bis(6-phenyl-2-pyridinyl)-4,19-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2,5,7,9,11,13,17,20(25),21,23,26-dodecaene-12,23-diamine (CID 158035546) is 15,15-bis(4-tert-butylphenyl)-12-N,12-N,18-N,18-N-tetraphenyl-10,20-dithiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,18-N-bis(3,5-diphenylphenyl)-15,15-dimethyl-12-N,18-N-diphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,18-N-bis(2-fluoro-4-phenylphenyl)-12-N,18-N,15,15-tetraphenyl-4-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;3-N-dibenzofuran-3-yl-8-N-dibenzofuran-4-yl-15,15,24,24-tetramethyl-3-N,8-N,11,11-tetraphenyl-6-azaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),18,20,22,26-dodecaene-3,8-diamine;12-N,18-N-dinaphthalen-1-yl-12-N,18-N,15,15-tetraphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N-tetrakis(4-methylphenyl)spiro[10,20-dithiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-15,9'-fluorene]-12,18-diamine;12-N,23-N,15,15-tetraphenyl-12-N,23-N-bis(6-phenyl-2-pyridinyl)-4,19-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2,5,7,9,11,13,17,20(25),21,23,26-dodecaene-12,23-diamine.
What is the SMILES notation for 15,15-bis(4-tert-butylphenyl)-12-N,12-N,18-N,18-N-tetraphenyl-10,20-dithiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,18-N-bis(3,5-diphenylphenyl)-15,15-dimethyl-12-N,18-N-diphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,18-N-bis(2-fluoro-4-phenylphenyl)-12-N,18-N,15,15-tetraphenyl-4-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;3-N-dibenzofuran-3-yl-8-N-dibenzofuran-4-yl-15,15,24,24-tetramethyl-3-N,8-N,11,11-tetraphenyl-6-azaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),18,20,22,26-dodecaene-3,8-diamine;12-N,18-N-dinaphthalen-1-yl-12-N,18-N,15,15-tetraphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N-tetrakis(4-methylphenyl)spiro[10,20-dithiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-15,9'-fluorene]-12,18-diamine;12-N,23-N,15,15-tetraphenyl-12-N,23-N-bis(6-phenyl-2-pyridinyl)-4,19-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2,5,7,9,11,13,17,20(25),21,23,26-dodecaene-12,23-diamine?
The canonical SMILES for 15,15-bis(4-tert-butylphenyl)-12-N,12-N,18-N,18-N-tetraphenyl-10,20-dithiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,18-N-bis(3,5-diphenylphenyl)-15,15-dimethyl-12-N,18-N-diphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,18-N-bis(2-fluoro-4-phenylphenyl)-12-N,18-N,15,15-tetraphenyl-4-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;3-N-dibenzofuran-3-yl-8-N-dibenzofuran-4-yl-15,15,24,24-tetramethyl-3-N,8-N,11,11-tetraphenyl-6-azaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),18,20,22,26-dodecaene-3,8-diamine;12-N,18-N-dinaphthalen-1-yl-12-N,18-N,15,15-tetraphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N-tetrakis(4-methylphenyl)spiro[10,20-dithiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-15,9'-fluorene]-12,18-diamine;12-N,23-N,15,15-tetraphenyl-12-N,23-N-bis(6-phenyl-2-pyridinyl)-4,19-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2,5,7,9,11,13,17,20(25),21,23,26-dodecaene-12,23-diamine is CC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)c3cc(N(c4ccccc4)c4ccccc4)c4sc5ccccc5c4c3-c3c2cc(N(c2ccccc2)c2ccccc2)c2sc4ccccc4c32)cc1.CC1(C)c2cc(N(c3ccccc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3oc4ccccc4c3c2-c2c1cc(N(c1ccccc1)c1cc(-c3ccccc3)cc(-c3ccccc3)c1)c1oc3ccccc3c21.CC1(C)c2ccccc2-c2c1ccc1c2C(C)(C)c2cc3c(c(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)c2-1)-c1ncc(N(c2ccccc2)c2cccc4c2oc2ccccc24)cc1C3(c1ccccc1)c1ccccc1.Cc1ccc(N(c2ccc(C)cc2)c2cc3c(c4c2sc2ccccc24)-c2c(cc(N(c4ccc(C)cc4)c4ccc(C)cc4)c4sc5ccccc5c24)C32c3ccccc3-c3ccccc32)cc1.Fc1cc(-c2ccccc2)ccc1N(c1ccccc1)c1cc2c(c3oc4ccccc4c13)-c1c(cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3F)c3c1sc1ccccc13)C2(c1ccccc1)c1ccccc1.c1ccc(-c2cccc(N(c3ccccc3)c3ccc4oc5cc6c(cc5c4c3)-c3c(cc(N(c4ccccc4)c4cccc(-c5ccccc5)n4)c4c3oc3ccccc34)C6(c3ccccc3)c3ccccc3)n2)cc1.c1ccc(N(c2cccc3ccccc23)c2cc3c(c4c2oc2ccccc24)-c2c(cc(N(c4ccccc4)c4cccc5ccccc45)c4oc5ccccc5c24)C3(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 15,15-bis(4-tert-butylphenyl)-12-N,12-N,18-N,18-N-tetraphenyl-10,20-dithiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,18-N-bis(3,5-diphenylphenyl)-15,15-dimethyl-12-N,18-N-diphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,18-N-bis(2-fluoro-4-phenylphenyl)-12-N,18-N,15,15-tetraphenyl-4-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;3-N-dibenzofuran-3-yl-8-N-dibenzofuran-4-yl-15,15,24,24-tetramethyl-3-N,8-N,11,11-tetraphenyl-6-azaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),18,20,22,26-dodecaene-3,8-diamine;12-N,18-N-dinaphthalen-1-yl-12-N,18-N,15,15-tetraphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N-tetrakis(4-methylphenyl)spiro[10,20-dithiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-15,9'-fluorene]-12,18-diamine;12-N,23-N,15,15-tetraphenyl-12-N,23-N-bis(6-phenyl-2-pyridinyl)-4,19-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2,5,7,9,11,13,17,20(25),21,23,26-dodecaene-12,23-diamine?
The InChIKey is FHRXDEXWZUMYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H55N3O2.C75H52N2O2.C73H46F2N2OS.C71H46N4O2.C69H44N2O2.C69H56N2S2.C65H46N2S2/c1-76(2)60-36-20-17-34-58(60)69-61(76)43-42-59-70-62(77(3,4)72(59)69)46-63-71(74(70)81(51-30-15-8-16-31-51)52-40-41-56-54-32-18-21-38-66(54)82-68(56)45-52)73-64(78(63,48-24-9-5-10-25-48)49-26-11-6-12-27-49)44-53(47-79-73)80(50-28-13-7-14-29-50)65-37-23-35-57-55-33-19-22-39-67(55)83-75(57)65;1-75(2)63-47-65(76(57-33-17-7-18-34-57)59-43-53(49-25-9-3-10-26-49)41-54(44-59)50-27-11-4-12-28-50)73-69(61-37-21-23-39-67(61)78-73)71(63)72-64(75)48-66(74-70(72)62-38-22-24-40-68(62)79-74)77(58-35-19-8-20-36-58)60-45-55(51-29-13-5-14-30-51)42-56(46-60)52-31-15-6-16-32-52;74-59-43-49(47-23-7-1-8-24-47)39-41-61(59)76(53-31-15-5-16-32-53)63-45-57-69(71-67(63)55-35-19-21-37-65(55)78-71)70-58(73(57,51-27-11-3-12-28-51)52-29-13-4-14-30-52)46-64(68-56-36-20-22-38-66(56)79-72(68)70)77(54-33-17-6-18-34-54)62-42-40-50(44-60(62)75)48-25-9-2-10-26-48;1-7-23-47(24-8-1)60-36-21-39-66(72-60)74(51-31-15-5-16-32-51)53-41-42-64-55(43-53)56-44-57-58(46-65(56)76-64)71(49-27-11-3-12-28-49,50-29-13-4-14-30-50)59-45-62(69-54-35-19-20-38-63(54)77-70(69)68(57)59)75(52-33-17-6-18-34-52)67-40-22-37-61(73-67)48-25-9-2-10-26-48;1-5-27-47(28-6-1)69(48-29-7-2-8-30-48)55-43-59(70(49-31-9-3-10-32-49)57-39-21-25-45-23-13-15-35-51(45)57)67-63(53-37-17-19-41-61(53)72-67)65(55)66-56(69)44-60(68-64(66)54-38-18-20-42-62(54)73-68)71(50-33-11-4-12-34-50)58-40-22-26-46-24-14-16-36-52(46)58;1-67(2,3)45-35-39-47(40-36-45)69(48-41-37-46(38-42-48)68(4,5)6)55-43-57(70(49-23-11-7-12-24-49)50-25-13-8-14-26-50)65-61(53-31-19-21-33-59(53)72-65)63(55)64-56(69)44-58(66-62(64)54-32-20-22-34-60(54)73-66)71(51-27-15-9-16-28-51)52-29-17-10-18-30-52;1-39-21-29-43(30-22-39)66(44-31-23-40(2)24-32-44)55-37-53-61(59-49-15-7-11-19-57(49)68-63(55)59)62-54(65(53)51-17-9-5-13-47(51)48-14-6-10-18-52(48)65)38-56(64-60(62)50-16-8-12-20-58(50)69-64)67(45-33-25-41(3)26-34-45)46-35-27-42(4)28-36-46/h5-47H,1-4H3;3-48H,1-2H3;1-46H;1-46H;1-44H;7-44H,1-6H3;5-38H,1-4H3.
What are the key properties of 15,15-bis(4-tert-butylphenyl)-12-N,12-N,18-N,18-N-tetraphenyl-10,20-dithiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,18-N-bis(3,5-diphenylphenyl)-15,15-dimethyl-12-N,18-N-diphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,18-N-bis(2-fluoro-4-phenylphenyl)-12-N,18-N,15,15-tetraphenyl-4-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;3-N-dibenzofuran-3-yl-8-N-dibenzofuran-4-yl-15,15,24,24-tetramethyl-3-N,8-N,11,11-tetraphenyl-6-azaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),18,20,22,26-dodecaene-3,8-diamine;12-N,18-N-dinaphthalen-1-yl-12-N,18-N,15,15-tetraphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N-tetrakis(4-methylphenyl)spiro[10,20-dithiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-15,9'-fluorene]-12,18-diamine;12-N,23-N,15,15-tetraphenyl-12-N,23-N-bis(6-phenyl-2-pyridinyl)-4,19-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2,5,7,9,11,13,17,20(25),21,23,26-dodecaene-12,23-diamine?
15,15-bis(4-tert-butylphenyl)-12-N,12-N,18-N,18-N-tetraphenyl-10,20-dithiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,18-N-bis(3,5-diphenylphenyl)-15,15-dimethyl-12-N,18-N-diphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,18-N-bis(2-fluoro-4-phenylphenyl)-12-N,18-N,15,15-tetraphenyl-4-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;3-N-dibenzofuran-3-yl-8-N-dibenzofuran-4-yl-15,15,24,24-tetramethyl-3-N,8-N,11,11-tetraphenyl-6-azaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),18,20,22,26-dodecaene-3,8-diamine;12-N,18-N-dinaphthalen-1-yl-12-N,18-N,15,15-tetraphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N-tetrakis(4-methylphenyl)spiro[10,20-dithiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-15,9'-fluorene]-12,18-diamine;12-N,23-N,15,15-tetraphenyl-12-N,23-N-bis(6-phenyl-2-pyridinyl)-4,19-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2,5,7,9,11,13,17,20(25),21,23,26-dodecaene-12,23-diamine has a molecular weight of 6933.70 g/mol, XLogP of 140.33, 60 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 15,15-bis(4-tert-butylphenyl)-12-N,12-N,18-N,18-N-tetraphenyl-10,20-dithiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,18-N-bis(3,5-diphenylphenyl)-15,15-dimethyl-12-N,18-N-diphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,18-N-bis(2-fluoro-4-phenylphenyl)-12-N,18-N,15,15-tetraphenyl-4-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;3-N-dibenzofuran-3-yl-8-N-dibenzofuran-4-yl-15,15,24,24-tetramethyl-3-N,8-N,11,11-tetraphenyl-6-azaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),18,20,22,26-dodecaene-3,8-diamine;12-N,18-N-dinaphthalen-1-yl-12-N,18-N,15,15-tetraphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N-tetrakis(4-methylphenyl)spiro[10,20-dithiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-15,9'-fluorene]-12,18-diamine;12-N,23-N,15,15-tetraphenyl-12-N,23-N-bis(6-phenyl-2-pyridinyl)-4,19-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2,5,7,9,11,13,17,20(25),21,23,26-dodecaene-12,23-diamine is sourced from PubChem (CID 158035546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).