[5-[21-[3-(3-anthracen-9-ylphenyl)phenyl]-8-[10-(3-tert-butylphenyl)-6H-phenanthridin-5-yl]-14-(2-naphthalen-1-yl-2H-quinolin-1-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-yl]-2-pyridinyl]-trimethylsilane;14-(2-anthracen-9-ylpyrimidin-4-yl)-21-tert-butyl-N-phenanthren-9-yl-N-(7-phenylphenanthren-2-yl)-9-[4-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-3-amine;5-[21-[2-(5-tert-butylnaphthalen-1-yl)-2H-quinolin-1-yl]-9-(6-dibenzofuran-2-yl-3-pyridinyl)-15-[3-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-2-yl]-10-(3-phenylphenyl)-6H-phenanthridine;20-(2-naphthalen-1-yl-2H-quinolin-1-yl)-N-phenanthren-9-yl-N-phenyl-15-[3-(2-phenylphenyl)phenyl]-9-[6-(trifluoromethyl)-3-pyridinyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-amine

C390H261F3N14O9Si — CID 158503161

IUPAC[5-[21-[3-(3-anthracen-9-ylphenyl)phenyl]-8-[10-(3-tert-butylphenyl)-6H-phenanthridin-5-yl]-14-(2-naphthalen-1-yl-2H-quinolin-1-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-yl]-2-pyridinyl]-trimethylsilane;14-(2-anthracen-9-ylpyrimidin-4-yl)-21-tert-butyl-N-phenanthren-9-yl-N-(7-phenylphenanthren-2-yl)-9-[4-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-3-amine;5-[21-[2-(5-tert-butylnaphthalen-1-yl)-2H-quinolin-1-yl]-9-(6-dibenzofuran-2-yl-3-pyridinyl)-15-[3-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-2-yl]-10-(3-phenylphenyl)-6H-phenanthridine;20-(2-naphthalen-1-yl-2H-quinolin-1-yl)-N-phenanthren-9-yl-N-phenyl-15-[3-(2-phenylphenyl)phenyl]-9-[6-(trifluoromethyl)-3-pyridinyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-amine
SMILESCC(C)(C)c1ccc2c3ccc(-c4ccnc(-c5c6ccccc6cc6ccccc56)n4)c4oc5c(-c6ccc(-c7cccc(-c8cccnc8)c7)cc6)ccc(c6c7c(oc1c72)CC(N(c1ccc2c(ccc7cc(-c8ccccc8)ccc72)c1)c1cc2ccccc2c2ccccc12)C=6)c5c43.CC(C)(C)c1cccc(-c2cccc3c2-c2ccccc2N(c2cc4oc5c(N6c7ccccc7C=CC6c6cccc7ccccc67)ccc6c7ccc(-c8cccc(-c9cccc(-c%10c%11ccccc%11cc%11ccccc%10%11)c9)c8)c8oc9cc(-c%10ccc([Si](C)(C)C)nc%10)cc(c(c2)c4c56)c9c87)C3)c1.CC(C)(C)c1cccc2c(C3C=Cc4ccccc4N3c3ccc4c5cc(-c6cccc(-c7cccc(-c8cccnc8)c7)c6)cc6oc7c(-c8ccc(-c9ccc%10oc%11ccccc%11c%10c9)nc8)ccc(c8c9c(oc3c94)C(N3Cc4cccc(-c9cccc(-c%10ccccc%10)c9)c4-c4ccccc43)CC=8)c7c65)cccc12.FC(F)(F)c1ccc(-c2ccc3c4cc(N(c5ccccc5)c5cc6ccccc6c6ccccc56)cc5oc6cc(N7c8ccccc8C=CC7c7cccc8ccccc78)cc(c7cc(-c8cccc(-c9ccccc9-c9ccccc9)c8)cc8oc2c3c87)c6c54)cn1
InChIInChI=1S/C106H72N4O3.C100H73N3O2Si.C97H64N4O2.C87H52F3N3O2/c1-106(2,3)88-37-18-34-78-79(88)35-17-36-80(78)92-49-42-64-22-7-10-38-90(64)110(92)94-51-47-84-87-58-75(69-27-14-25-67(55-69)66-24-13-26-68(54-66)72-30-19-53-107-60-72)59-97-99(87)100-82(45-44-77(103(100)112-97)73-41-48-89(108-61-73)71-43-52-96-86(57-71)81-31-9-12-40-95(81)111-96)83-46-50-93(104-101(83)102(84)105(94)113-104)109-62-74-29-16-33-76(98(74)85-32-8-11-39-91(85)109)70-28-15-23-65(56-70)63-20-5-4-6-21-63;1-100(2,3)72-33-19-30-67(53-72)77-38-21-32-70-59-102(86-41-16-14-37-82(86)93(70)77)73-56-84-83-54-71(69-43-49-91(101-58-69)106(4,5)6)55-89-94(83)96-80(45-44-78(98(96)104-89)66-29-17-27-62(50-66)63-28-18-31-68(51-63)92-75-35-12-8-24-64(75)52-65-25-9-13-36-76(65)92)81-46-48-88(99-97(81)95(84)90(57-73)105-99)103-85-40-15-10-23-61(85)42-47-87(103)79-39-20-26-60-22-7-11-34-74(60)79;1-97(2,3)84-45-44-80-79-42-43-82(85-46-48-99-96(100-85)88-74-26-11-8-19-63(74)51-64-20-9-12-27-75(64)88)94-91(79)92-81(41-40-76(93(92)103-94)59-32-30-58(31-33-59)60-22-15-23-61(49-60)68-24-16-47-98-56-68)83-54-70(55-87-89(83)90(80)95(84)102-87)101(86-53-65-21-7-10-25-71(65)77-28-13-14-29-78(77)86)69-37-39-73-67(52-69)35-34-66-50-62(36-38-72(66)73)57-17-5-4-6-18-57;88-87(89,90)81-42-38-58(51-91-81)67-39-40-71-73-47-61(92(60-27-5-2-6-28-60)77-45-57-23-8-11-32-66(57)68-33-14-15-34-70(68)77)49-79-82(73)83-74(48-62(50-80(83)94-79)93-75-36-16-9-22-54(75)37-41-76(93)69-35-18-24-53-21-7-10-30-64(53)69)72-44-59(46-78-84(72)85(71)86(67)95-78)55-25-17-26-56(43-55)65-31-13-12-29-63(65)52-19-3-1-4-20-52/h4-49,51-61,92-93H,50,62H2,1-3H3;7-58,87H,59H2,1-6H3;4-54,56,70H,55H2,1-3H3;1-51,76H/b;81-80-,84-83-;;73-71-,74-72-
InChIKeyHKDMJLXOWBPPFC-WPKCVOKQSA-N
MW5372.55 g/mol
LogP105.92
Rot. Bonds37

About [5-[21-[3-(3-anthracen-9-ylphenyl)phenyl]-8-[10-(3-tert-butylphenyl)-6H-phenanthridin-5-yl]-14-(2-naphthalen-1-yl-2H-quinolin-1-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-yl]-2-pyridinyl]-trimethylsilane;14-(2-anthracen-9-ylpyrimidin-4-yl)-21-tert-butyl-N-phenanthren-9-yl-N-(7-phenylphenanthren-2-yl)-9-[4-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-3-amine;5-[21-[2-(5-tert-butylnaphthalen-1-yl)-2H-quinolin-1-yl]-9-(6-dibenzofuran-2-yl-3-pyridinyl)-15-[3-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-2-yl]-10-(3-phenylphenyl)-6H-phenanthridine;20-(2-naphthalen-1-yl-2H-quinolin-1-yl)-N-phenanthren-9-yl-N-phenyl-15-[3-(2-phenylphenyl)phenyl]-9-[6-(trifluoromethyl)-3-pyridinyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-amine

[5-[21-[3-(3-anthracen-9-ylphenyl)phenyl]-8-[10-(3-tert-butylphenyl)-6H-phenanthridin-5-yl]-14-(2-naphthalen-1-yl-2H-quinolin-1-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-yl]-2-pyridinyl]-trimethylsilane;14-(2-anthracen-9-ylpyrimidin-4-yl)-21-tert-butyl-N-phenanthren-9-yl-N-(7-phenylphenanthren-2-yl)-9-[4-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-3-amine;5-[21-[2-(5-tert-butylnaphthalen-1-yl)-2H-quinolin-1-yl]-9-(6-dibenzofuran-2-yl-3-pyridinyl)-15-[3-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-2-yl]-10-(3-phenylphenyl)-6H-phenanthridine;20-(2-naphthalen-1-yl-2H-quinolin-1-yl)-N-phenanthren-9-yl-N-phenyl-15-[3-(2-phenylphenyl)phenyl]-9-[6-(trifluoromethyl)-3-pyridinyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-amine (PubChem CID 158503161) has the molecular formula C390H261F3N14O9Si and a molecular weight of 5372.55 g/mol. Its IUPAC name is [5-[21-[3-(3-anthracen-9-ylphenyl)phenyl]-8-[10-(3-tert-butylphenyl)-6H-phenanthridin-5-yl]-14-(2-naphthalen-1-yl-2H-quinolin-1-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-yl]-2-pyridinyl]-trimethylsilane;14-(2-anthracen-9-ylpyrimidin-4-yl)-21-tert-butyl-N-phenanthren-9-yl-N-(7-phenylphenanthren-2-yl)-9-[4-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-3-amine;5-[21-[2-(5-tert-butylnaphthalen-1-yl)-2H-quinolin-1-yl]-9-(6-dibenzofuran-2-yl-3-pyridinyl)-15-[3-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-2-yl]-10-(3-phenylphenyl)-6H-phenanthridine;20-(2-naphthalen-1-yl-2H-quinolin-1-yl)-N-phenanthren-9-yl-N-phenyl-15-[3-(2-phenylphenyl)phenyl]-9-[6-(trifluoromethyl)-3-pyridinyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-amine.

Molecular Properties

Compound Name[5-[21-[3-(3-anthracen-9-ylphenyl)phenyl]-8-[10-(3-tert-butylphenyl)-6H-phenanthridin-5-yl]-14-(2-naphthalen-1-yl-2H-quinolin-1-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-yl]-2-pyridinyl]-trimethylsilane;14-(2-anthracen-9-ylpyrimidin-4-yl)-21-tert-butyl-N-phenanthren-9-yl-N-(7-phenylphenanthren-2-yl)-9-[4-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-3-amine;5-[21-[2-(5-tert-butylnaphthalen-1-yl)-2H-quinolin-1-yl]-9-(6-dibenzofuran-2-yl-3-pyridinyl)-15-[3-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-2-yl]-10-(3-phenylphenyl)-6H-phenanthridine;20-(2-naphthalen-1-yl-2H-quinolin-1-yl)-N-phenanthren-9-yl-N-phenyl-15-[3-(2-phenylphenyl)phenyl]-9-[6-(trifluoromethyl)-3-pyridinyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-amine
PubChem CID158503161
Molecular FormulaC390H261F3N14O9Si
Molecular Weight5372.55 g/mol
Exact Mass5368.01
IUPAC Name[5-[21-[3-(3-anthracen-9-ylphenyl)phenyl]-8-[10-(3-tert-butylphenyl)-6H-phenanthridin-5-yl]-14-(2-naphthalen-1-yl-2H-quinolin-1-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-yl]-2-pyridinyl]-trimethylsilane;14-(2-anthracen-9-ylpyrimidin-4-yl)-21-tert-butyl-N-phenanthren-9-yl-N-(7-phenylphenanthren-2-yl)-9-[4-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-3-amine;5-[21-[2-(5-tert-butylnaphthalen-1-yl)-2H-quinolin-1-yl]-9-(6-dibenzofuran-2-yl-3-pyridinyl)-15-[3-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-2-yl]-10-(3-phenylphenyl)-6H-phenanthridine;20-(2-naphthalen-1-yl-2H-quinolin-1-yl)-N-phenanthren-9-yl-N-phenyl-15-[3-(2-phenylphenyl)phenyl]-9-[6-(trifluoromethyl)-3-pyridinyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-amine
SMILESCC(C)(C)c1ccc2c3ccc(-c4ccnc(-c5c6ccccc6cc6ccccc56)n4)c4oc5c(-c6ccc(-c7cccc(-c8cccnc8)c7)cc6)ccc(c6c7c(oc1c72)CC(N(c1ccc2c(ccc7cc(-c8ccccc8)ccc72)c1)c1cc2ccccc2c2ccccc12)C=6)c5c43.CC(C)(C)c1cccc(-c2cccc3c2-c2ccccc2N(c2cc4oc5c(N6c7ccccc7C=CC6c6cccc7ccccc67)ccc6c7ccc(-c8cccc(-c9cccc(-c%10c%11ccccc%11cc%11ccccc%10%11)c9)c8)c8oc9cc(-c%10ccc([Si](C)(C)C)nc%10)cc(c(c2)c4c56)c9c87)C3)c1.CC(C)(C)c1cccc2c(C3C=Cc4ccccc4N3c3ccc4c5cc(-c6cccc(-c7cccc(-c8cccnc8)c7)c6)cc6oc7c(-c8ccc(-c9ccc%10oc%11ccccc%11c%10c9)nc8)ccc(c8c9c(oc3c94)C(N3Cc4cccc(-c9cccc(-c%10ccccc%10)c9)c4-c4ccccc43)CC=8)c7c65)cccc12.FC(F)(F)c1ccc(-c2ccc3c4cc(N(c5ccccc5)c5cc6ccccc6c6ccccc56)cc5oc6cc(N7c8ccccc8C=CC7c7cccc8ccccc78)cc(c7cc(-c8cccc(-c9ccccc9-c9ccccc9)c8)cc8oc2c3c87)c6c54)cn1
InChIInChI=1S/C106H72N4O3.C100H73N3O2Si.C97H64N4O2.C87H52F3N3O2/c1-106(2,3)88-37-18-34-78-79(88)35-17-36-80(78)92-49-42-64-22-7-10-38-90(64)110(92)94-51-47-84-87-58-75(69-27-14-25-67(55-69)66-24-13-26-68(54-66)72-30-19-53-107-60-72)59-97-99(87)100-82(45-44-77(103(100)112-97)73-41-48-89(108-61-73)71-43-52-96-86(57-71)81-31-9-12-40-95(81)111-96)83-46-50-93(104-101(83)102(84)105(94)113-104)109-62-74-29-16-33-76(98(74)85-32-8-11-39-91(85)109)70-28-15-23-65(56-70)63-20-5-4-6-21-63;1-100(2,3)72-33-19-30-67(53-72)77-38-21-32-70-59-102(86-41-16-14-37-82(86)93(70)77)73-56-84-83-54-71(69-43-49-91(101-58-69)106(4,5)6)55-89-94(83)96-80(45-44-78(98(96)104-89)66-29-17-27-62(50-66)63-28-18-31-68(51-63)92-75-35-12-8-24-64(75)52-65-25-9-13-36-76(65)92)81-46-48-88(99-97(81)95(84)90(57-73)105-99)103-85-40-15-10-23-61(85)42-47-87(103)79-39-20-26-60-22-7-11-34-74(60)79;1-97(2,3)84-45-44-80-79-42-43-82(85-46-48-99-96(100-85)88-74-26-11-8-19-63(74)51-64-20-9-12-27-75(64)88)94-91(79)92-81(41-40-76(93(92)103-94)59-32-30-58(31-33-59)60-22-15-23-61(49-60)68-24-16-47-98-56-68)83-54-70(55-87-89(83)90(80)95(84)102-87)101(86-53-65-21-7-10-25-71(65)77-28-13-14-29-78(77)86)69-37-39-73-67(52-69)35-34-66-50-62(36-38-72(66)73)57-17-5-4-6-18-57;88-87(89,90)81-42-38-58(51-91-81)67-39-40-71-73-47-61(92(60-27-5-2-6-28-60)77-45-57-23-8-11-32-66(57)68-33-14-15-34-70(68)77)49-79-82(73)83-74(48-62(50-80(83)94-79)93-75-36-16-9-22-54(75)37-41-76(93)69-35-18-24-53-21-7-10-30-64(53)69)72-44-59(46-78-84(72)85(71)86(67)95-78)55-25-17-26-56(43-55)65-31-13-12-29-63(65)52-19-3-1-4-20-52/h4-49,51-61,92-93H,50,62H2,1-3H3;7-58,87H,59H2,1-6H3;4-54,56,70H,55H2,1-3H3;1-51,76H/b;81-80-,84-83-;;73-71-,74-72-
InChIKeyHKDMJLXOWBPPFC-WPKCVOKQSA-N
XLogP105.92
TPSA231.17 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds37
Heavy Atoms417
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005372.55
LogP ≤ 5105.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze [5-[21-[3-(3-anthracen-9-ylphenyl)phenyl]-8-[10-(3-tert-butylphenyl)-6H-phenanthridin-5-yl]-14-(2-naphthalen-1-yl-2H-quinolin-1-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-yl]-2-pyridinyl]-trimethylsilane;14-(2-anthracen-9-ylpyrimidin-4-yl)-21-tert-butyl-N-phenanthren-9-yl-N-(7-phenylphenanthren-2-yl)-9-[4-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-3-amine;5-[21-[2-(5-tert-butylnaphthalen-1-yl)-2H-quinolin-1-yl]-9-(6-dibenzofuran-2-yl-3-pyridinyl)-15-[3-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-2-yl]-10-(3-phenylphenyl)-6H-phenanthridine;20-(2-naphthalen-1-yl-2H-quinolin-1-yl)-N-phenanthren-9-yl-N-phenyl-15-[3-(2-phenylphenyl)phenyl]-9-[6-(trifluoromethyl)-3-pyridinyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-[21-[3-(3-anthracen-9-ylphenyl)phenyl]-8-[10-(3-tert-butylphenyl)-6H-phenanthridin-5-yl]-14-(2-naphthalen-1-yl-2H-quinolin-1-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-yl]-2-pyridinyl]-trimethylsilane;14-(2-anthracen-9-ylpyrimidin-4-yl)-21-tert-butyl-N-phenanthren-9-yl-N-(7-phenylphenanthren-2-yl)-9-[4-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-3-amine;5-[21-[2-(5-tert-butylnaphthalen-1-yl)-2H-quinolin-1-yl]-9-(6-dibenzofuran-2-yl-3-pyridinyl)-15-[3-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-2-yl]-10-(3-phenylphenyl)-6H-phenanthridine;20-(2-naphthalen-1-yl-2H-quinolin-1-yl)-N-phenanthren-9-yl-N-phenyl-15-[3-(2-phenylphenyl)phenyl]-9-[6-(trifluoromethyl)-3-pyridinyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-amine?
The IUPAC name of [5-[21-[3-(3-anthracen-9-ylphenyl)phenyl]-8-[10-(3-tert-butylphenyl)-6H-phenanthridin-5-yl]-14-(2-naphthalen-1-yl-2H-quinolin-1-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-yl]-2-pyridinyl]-trimethylsilane;14-(2-anthracen-9-ylpyrimidin-4-yl)-21-tert-butyl-N-phenanthren-9-yl-N-(7-phenylphenanthren-2-yl)-9-[4-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-3-amine;5-[21-[2-(5-tert-butylnaphthalen-1-yl)-2H-quinolin-1-yl]-9-(6-dibenzofuran-2-yl-3-pyridinyl)-15-[3-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-2-yl]-10-(3-phenylphenyl)-6H-phenanthridine;20-(2-naphthalen-1-yl-2H-quinolin-1-yl)-N-phenanthren-9-yl-N-phenyl-15-[3-(2-phenylphenyl)phenyl]-9-[6-(trifluoromethyl)-3-pyridinyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-amine (CID 158503161) is [5-[21-[3-(3-anthracen-9-ylphenyl)phenyl]-8-[10-(3-tert-butylphenyl)-6H-phenanthridin-5-yl]-14-(2-naphthalen-1-yl-2H-quinolin-1-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-yl]-2-pyridinyl]-trimethylsilane;14-(2-anthracen-9-ylpyrimidin-4-yl)-21-tert-butyl-N-phenanthren-9-yl-N-(7-phenylphenanthren-2-yl)-9-[4-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-3-amine;5-[21-[2-(5-tert-butylnaphthalen-1-yl)-2H-quinolin-1-yl]-9-(6-dibenzofuran-2-yl-3-pyridinyl)-15-[3-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-2-yl]-10-(3-phenylphenyl)-6H-phenanthridine;20-(2-naphthalen-1-yl-2H-quinolin-1-yl)-N-phenanthren-9-yl-N-phenyl-15-[3-(2-phenylphenyl)phenyl]-9-[6-(trifluoromethyl)-3-pyridinyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-amine.
What is the SMILES notation for [5-[21-[3-(3-anthracen-9-ylphenyl)phenyl]-8-[10-(3-tert-butylphenyl)-6H-phenanthridin-5-yl]-14-(2-naphthalen-1-yl-2H-quinolin-1-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-yl]-2-pyridinyl]-trimethylsilane;14-(2-anthracen-9-ylpyrimidin-4-yl)-21-tert-butyl-N-phenanthren-9-yl-N-(7-phenylphenanthren-2-yl)-9-[4-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-3-amine;5-[21-[2-(5-tert-butylnaphthalen-1-yl)-2H-quinolin-1-yl]-9-(6-dibenzofuran-2-yl-3-pyridinyl)-15-[3-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-2-yl]-10-(3-phenylphenyl)-6H-phenanthridine;20-(2-naphthalen-1-yl-2H-quinolin-1-yl)-N-phenanthren-9-yl-N-phenyl-15-[3-(2-phenylphenyl)phenyl]-9-[6-(trifluoromethyl)-3-pyridinyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-amine?
The canonical SMILES for [5-[21-[3-(3-anthracen-9-ylphenyl)phenyl]-8-[10-(3-tert-butylphenyl)-6H-phenanthridin-5-yl]-14-(2-naphthalen-1-yl-2H-quinolin-1-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-yl]-2-pyridinyl]-trimethylsilane;14-(2-anthracen-9-ylpyrimidin-4-yl)-21-tert-butyl-N-phenanthren-9-yl-N-(7-phenylphenanthren-2-yl)-9-[4-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-3-amine;5-[21-[2-(5-tert-butylnaphthalen-1-yl)-2H-quinolin-1-yl]-9-(6-dibenzofuran-2-yl-3-pyridinyl)-15-[3-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-2-yl]-10-(3-phenylphenyl)-6H-phenanthridine;20-(2-naphthalen-1-yl-2H-quinolin-1-yl)-N-phenanthren-9-yl-N-phenyl-15-[3-(2-phenylphenyl)phenyl]-9-[6-(trifluoromethyl)-3-pyridinyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-amine is CC(C)(C)c1ccc2c3ccc(-c4ccnc(-c5c6ccccc6cc6ccccc56)n4)c4oc5c(-c6ccc(-c7cccc(-c8cccnc8)c7)cc6)ccc(c6c7c(oc1c72)CC(N(c1ccc2c(ccc7cc(-c8ccccc8)ccc72)c1)c1cc2ccccc2c2ccccc12)C=6)c5c43.CC(C)(C)c1cccc(-c2cccc3c2-c2ccccc2N(c2cc4oc5c(N6c7ccccc7C=CC6c6cccc7ccccc67)ccc6c7ccc(-c8cccc(-c9cccc(-c%10c%11ccccc%11cc%11ccccc%10%11)c9)c8)c8oc9cc(-c%10ccc([Si](C)(C)C)nc%10)cc(c(c2)c4c56)c9c87)C3)c1.CC(C)(C)c1cccc2c(C3C=Cc4ccccc4N3c3ccc4c5cc(-c6cccc(-c7cccc(-c8cccnc8)c7)c6)cc6oc7c(-c8ccc(-c9ccc%10oc%11ccccc%11c%10c9)nc8)ccc(c8c9c(oc3c94)C(N3Cc4cccc(-c9cccc(-c%10ccccc%10)c9)c4-c4ccccc43)CC=8)c7c65)cccc12.FC(F)(F)c1ccc(-c2ccc3c4cc(N(c5ccccc5)c5cc6ccccc6c6ccccc56)cc5oc6cc(N7c8ccccc8C=CC7c7cccc8ccccc78)cc(c7cc(-c8cccc(-c9ccccc9-c9ccccc9)c8)cc8oc2c3c87)c6c54)cn1.
What is the InChIKey of [5-[21-[3-(3-anthracen-9-ylphenyl)phenyl]-8-[10-(3-tert-butylphenyl)-6H-phenanthridin-5-yl]-14-(2-naphthalen-1-yl-2H-quinolin-1-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-yl]-2-pyridinyl]-trimethylsilane;14-(2-anthracen-9-ylpyrimidin-4-yl)-21-tert-butyl-N-phenanthren-9-yl-N-(7-phenylphenanthren-2-yl)-9-[4-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-3-amine;5-[21-[2-(5-tert-butylnaphthalen-1-yl)-2H-quinolin-1-yl]-9-(6-dibenzofuran-2-yl-3-pyridinyl)-15-[3-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-2-yl]-10-(3-phenylphenyl)-6H-phenanthridine;20-(2-naphthalen-1-yl-2H-quinolin-1-yl)-N-phenanthren-9-yl-N-phenyl-15-[3-(2-phenylphenyl)phenyl]-9-[6-(trifluoromethyl)-3-pyridinyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-amine?
The InChIKey is HKDMJLXOWBPPFC-WPKCVOKQSA-N. The full InChI is InChI=1S/C106H72N4O3.C100H73N3O2Si.C97H64N4O2.C87H52F3N3O2/c1-106(2,3)88-37-18-34-78-79(88)35-17-36-80(78)92-49-42-64-22-7-10-38-90(64)110(92)94-51-47-84-87-58-75(69-27-14-25-67(55-69)66-24-13-26-68(54-66)72-30-19-53-107-60-72)59-97-99(87)100-82(45-44-77(103(100)112-97)73-41-48-89(108-61-73)71-43-52-96-86(57-71)81-31-9-12-40-95(81)111-96)83-46-50-93(104-101(83)102(84)105(94)113-104)109-62-74-29-16-33-76(98(74)85-32-8-11-39-91(85)109)70-28-15-23-65(56-70)63-20-5-4-6-21-63;1-100(2,3)72-33-19-30-67(53-72)77-38-21-32-70-59-102(86-41-16-14-37-82(86)93(70)77)73-56-84-83-54-71(69-43-49-91(101-58-69)106(4,5)6)55-89-94(83)96-80(45-44-78(98(96)104-89)66-29-17-27-62(50-66)63-28-18-31-68(51-63)92-75-35-12-8-24-64(75)52-65-25-9-13-36-76(65)92)81-46-48-88(99-97(81)95(84)90(57-73)105-99)103-85-40-15-10-23-61(85)42-47-87(103)79-39-20-26-60-22-7-11-34-74(60)79;1-97(2,3)84-45-44-80-79-42-43-82(85-46-48-99-96(100-85)88-74-26-11-8-19-63(74)51-64-20-9-12-27-75(64)88)94-91(79)92-81(41-40-76(93(92)103-94)59-32-30-58(31-33-59)60-22-15-23-61(49-60)68-24-16-47-98-56-68)83-54-70(55-87-89(83)90(80)95(84)102-87)101(86-53-65-21-7-10-25-71(65)77-28-13-14-29-78(77)86)69-37-39-73-67(52-69)35-34-66-50-62(36-38-72(66)73)57-17-5-4-6-18-57;88-87(89,90)81-42-38-58(51-91-81)67-39-40-71-73-47-61(92(60-27-5-2-6-28-60)77-45-57-23-8-11-32-66(57)68-33-14-15-34-70(68)77)49-79-82(73)83-74(48-62(50-80(83)94-79)93-75-36-16-9-22-54(75)37-41-76(93)69-35-18-24-53-21-7-10-30-64(53)69)72-44-59(46-78-84(72)85(71)86(67)95-78)55-25-17-26-56(43-55)65-31-13-12-29-63(65)52-19-3-1-4-20-52/h4-49,51-61,92-93H,50,62H2,1-3H3;7-58,87H,59H2,1-6H3;4-54,56,70H,55H2,1-3H3;1-51,76H/b;81-80-,84-83-;;73-71-,74-72-.
What are the key properties of [5-[21-[3-(3-anthracen-9-ylphenyl)phenyl]-8-[10-(3-tert-butylphenyl)-6H-phenanthridin-5-yl]-14-(2-naphthalen-1-yl-2H-quinolin-1-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-yl]-2-pyridinyl]-trimethylsilane;14-(2-anthracen-9-ylpyrimidin-4-yl)-21-tert-butyl-N-phenanthren-9-yl-N-(7-phenylphenanthren-2-yl)-9-[4-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-3-amine;5-[21-[2-(5-tert-butylnaphthalen-1-yl)-2H-quinolin-1-yl]-9-(6-dibenzofuran-2-yl-3-pyridinyl)-15-[3-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-2-yl]-10-(3-phenylphenyl)-6H-phenanthridine;20-(2-naphthalen-1-yl-2H-quinolin-1-yl)-N-phenanthren-9-yl-N-phenyl-15-[3-(2-phenylphenyl)phenyl]-9-[6-(trifluoromethyl)-3-pyridinyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-amine?
[5-[21-[3-(3-anthracen-9-ylphenyl)phenyl]-8-[10-(3-tert-butylphenyl)-6H-phenanthridin-5-yl]-14-(2-naphthalen-1-yl-2H-quinolin-1-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-yl]-2-pyridinyl]-trimethylsilane;14-(2-anthracen-9-ylpyrimidin-4-yl)-21-tert-butyl-N-phenanthren-9-yl-N-(7-phenylphenanthren-2-yl)-9-[4-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-3-amine;5-[21-[2-(5-tert-butylnaphthalen-1-yl)-2H-quinolin-1-yl]-9-(6-dibenzofuran-2-yl-3-pyridinyl)-15-[3-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-2-yl]-10-(3-phenylphenyl)-6H-phenanthridine;20-(2-naphthalen-1-yl-2H-quinolin-1-yl)-N-phenanthren-9-yl-N-phenyl-15-[3-(2-phenylphenyl)phenyl]-9-[6-(trifluoromethyl)-3-pyridinyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-amine has a molecular weight of 5372.55 g/mol, XLogP of 105.92, 37 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[21-[3-(3-anthracen-9-ylphenyl)phenyl]-8-[10-(3-tert-butylphenyl)-6H-phenanthridin-5-yl]-14-(2-naphthalen-1-yl-2H-quinolin-1-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-yl]-2-pyridinyl]-trimethylsilane;14-(2-anthracen-9-ylpyrimidin-4-yl)-21-tert-butyl-N-phenanthren-9-yl-N-(7-phenylphenanthren-2-yl)-9-[4-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-3-amine;5-[21-[2-(5-tert-butylnaphthalen-1-yl)-2H-quinolin-1-yl]-9-(6-dibenzofuran-2-yl-3-pyridinyl)-15-[3-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-2-yl]-10-(3-phenylphenyl)-6H-phenanthridine;20-(2-naphthalen-1-yl-2H-quinolin-1-yl)-N-phenanthren-9-yl-N-phenyl-15-[3-(2-phenylphenyl)phenyl]-9-[6-(trifluoromethyl)-3-pyridinyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-amine is sourced from PubChem (CID 158503161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).