14,22-bis(4-methoxyphenyl)-18-methylhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;18-tert-butyl-14,22-bis(4-hexoxyphenyl)-5-methoxyhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3(8),4,6,9,11,13(23),14,16,18,20(24),21-dodecaene;18-tert-butyl-14,22-bis(4-methoxyphenyl)hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;18-tert-butyl-14,22-dinaphthalen-2-ylhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;2-(18-tert-butyl-14-pyridin-2-yl-22-hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaenyl)pyridine;2-(18-tert-butyl-14-thiophen-2-yl-22-hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaenyl)thiophene;7,18-ditert-butyl-14,22-bis(4-hexoxyphenyl)hexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;2-(10,26-ditert-butyl-14,22,34-trithiophen-2-yl-30-nonacyclo[22.6.2.25,8.02,19.04,17.06,15.07,12.021,31.028,32]tetratriaconta-1,3,5(34),6,8(33),9,11,13,15,17,19,21(31),22,24,26,28(32),29-heptadecaenyl)thiophene

C370H310N2O9S6 — CID 158294691

IUPAC14,22-bis(4-methoxyphenyl)-18-methylhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;18-tert-butyl-14,22-bis(4-hexoxyphenyl)-5-methoxyhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3(8),4,6,9,11,13(23),14,16,18,20(24),21-dodecaene;18-tert-butyl-14,22-bis(4-methoxyphenyl)hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;18-tert-butyl-14,22-dinaphthalen-2-ylhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;2-(18-tert-butyl-14-pyridin-2-yl-22-hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaenyl)pyridine;2-(18-tert-butyl-14-thiophen-2-yl-22-hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaenyl)thiophene;7,18-ditert-butyl-14,22-bis(4-hexoxyphenyl)hexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;2-(10,26-ditert-butyl-14,22,34-trithiophen-2-yl-30-nonacyclo[22.6.2.25,8.02,19.04,17.06,15.07,12.021,31.028,32]tetratriaconta-1,3,5(34),6,8(33),9,11,13,15,17,19,21(31),22,24,26,28(32),29-heptadecaenyl)thiophene
SMILESCC(C)(C)c1cc2cc(-c3ccc4ccccc4c3)c3cc4ccc5ccccc5c4c4c(-c5ccc6ccccc6c5)cc(c1)c2c34.CC(C)(C)c1cc2cc(-c3ccccn3)c3cc4ccc5ccccc5c4c4c(-c5ccccn5)cc(c1)c2c34.CC(C)(C)c1cc2cc(-c3cccs3)c3cc4cc5cc6c(-c7cccs7)cc7cc(C(C)(C)C)cc8cc(-c9cccs9)c(c5cc4c4c(-c5cccs5)cc(c1)c2c34)c6c78.CC(C)(C)c1cc2cc(-c3cccs3)c3cc4ccc5ccccc5c4c4c(-c5cccs5)cc(c1)c2c34.CCCCCCOc1ccc(-c2cc3cc(C(C)(C)C)cc4cc(-c5ccc(OCCCCCC)cc5)c5c6c(ccc7ccc(OC)cc76)cc2c5c34)cc1.CCCCCCOc1ccc(-c2cc3cc(C(C)(C)C)cc4cc(-c5ccc(OCCCCCC)cc5)c5c6cc7ccc(C(C)(C)C)cc7cc6cc2c5c34)cc1.COc1ccc(-c2cc3cc(C(C)(C)C)cc4cc(-c5ccc(OC)cc5)c5c6c(ccc7ccccc76)cc2c5c34)cc1.COc1ccc(-c2cc3cc(C)cc4cc(-c5ccc(OC)cc5)c5c6c(ccc7ccccc76)cc2c5c34)cc1
InChIInChI=1S/C58H42S4.C56H62O2.C53H56O3.C48H34.C42H34O2.C39H28O2.C38H28N2.C36H26S2/c1-57(2,3)37-20-33-26-41(47-11-7-15-59-47)43-24-31-19-32-25-44-42(48-12-8-16-60-48)27-34-21-38(58(4,5)6)23-36-29-46(50-14-10-18-62-50)54(56(44)52(34)36)40(32)30-39(31)53-45(49-13-9-17-61-49)28-35(22-37)51(33)55(43)53;1-9-11-13-15-27-57-46-23-18-37(19-24-46)48-35-42-31-45(56(6,7)8)32-43-36-49(38-20-25-47(26-21-38)58-28-16-14-12-10-2)53-50-33-39-17-22-44(55(3,4)5)30-40(39)29-41(50)34-51(48)54(53)52(42)43;1-7-9-11-13-27-55-42-22-17-35(18-23-42)45-32-39-29-41(53(3,4)5)30-40-33-46(37-19-24-43(25-20-37)56-28-14-12-10-8-2)51-50-38(31-48(45)52(51)49(39)40)16-15-36-21-26-44(54-6)34-47(36)50;1-48(2,3)39-24-37-27-41(34-19-16-29-10-4-6-13-32(29)22-34)43-26-36-21-18-31-12-8-9-15-40(31)45(36)46-42(28-38(25-39)44(37)47(43)46)35-20-17-30-11-5-7-14-33(30)23-35;1-42(2,3)31-20-29-23-35(26-12-16-32(43-4)17-13-26)37-22-28-11-10-25-8-6-7-9-34(25)39(28)40-36(24-30(21-31)38(29)41(37)40)27-14-18-33(44-5)19-15-27;1-23-18-28-21-33(25-10-14-30(40-2)15-11-25)35-20-27-9-8-24-6-4-5-7-32(24)37(27)38-34(22-29(19-23)36(28)39(35)38)26-12-16-31(41-3)17-13-26;1-38(2,3)27-18-25-21-29(32-12-6-8-16-39-32)30-20-24-15-14-23-10-4-5-11-28(23)35(24)37-31(33-13-7-9-17-40-33)22-26(19-27)34(25)36(30)37;1-36(2,3)25-16-23-19-27(30-10-6-14-37-30)28-18-22-13-12-21-8-4-5-9-26(21)33(22)35-29(31-11-7-15-38-31)20-24(17-25)32(23)34(28)35/h7-30H,1-6H3;17-26,29-36H,9-16,27-28H2,1-8H3;15-26,29-34H,7-14,27-28H2,1-6H3;4-28H,1-3H3;6-24H,1-5H3;4-22H,1-3H3;4-22H,1-3H3;4-20H,1-3H3
InChIKeyGLTOOTRTVKTDDY-UHFFFAOYSA-N
MW5120.96 g/mol
LogP109.36
Rot. Bonds47

About 14,22-bis(4-methoxyphenyl)-18-methylhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;18-tert-butyl-14,22-bis(4-hexoxyphenyl)-5-methoxyhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3(8),4,6,9,11,13(23),14,16,18,20(24),21-dodecaene;18-tert-butyl-14,22-bis(4-methoxyphenyl)hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;18-tert-butyl-14,22-dinaphthalen-2-ylhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;2-(18-tert-butyl-14-pyridin-2-yl-22-hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaenyl)pyridine;2-(18-tert-butyl-14-thiophen-2-yl-22-hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaenyl)thiophene;7,18-ditert-butyl-14,22-bis(4-hexoxyphenyl)hexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;2-(10,26-ditert-butyl-14,22,34-trithiophen-2-yl-30-nonacyclo[22.6.2.25,8.02,19.04,17.06,15.07,12.021,31.028,32]tetratriaconta-1,3,5(34),6,8(33),9,11,13,15,17,19,21(31),22,24,26,28(32),29-heptadecaenyl)thiophene

14,22-bis(4-methoxyphenyl)-18-methylhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;18-tert-butyl-14,22-bis(4-hexoxyphenyl)-5-methoxyhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3(8),4,6,9,11,13(23),14,16,18,20(24),21-dodecaene;18-tert-butyl-14,22-bis(4-methoxyphenyl)hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;18-tert-butyl-14,22-dinaphthalen-2-ylhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;2-(18-tert-butyl-14-pyridin-2-yl-22-hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaenyl)pyridine;2-(18-tert-butyl-14-thiophen-2-yl-22-hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaenyl)thiophene;7,18-ditert-butyl-14,22-bis(4-hexoxyphenyl)hexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;2-(10,26-ditert-butyl-14,22,34-trithiophen-2-yl-30-nonacyclo[22.6.2.25,8.02,19.04,17.06,15.07,12.021,31.028,32]tetratriaconta-1,3,5(34),6,8(33),9,11,13,15,17,19,21(31),22,24,26,28(32),29-heptadecaenyl)thiophene (PubChem CID 158294691) has the molecular formula C370H310N2O9S6 and a molecular weight of 5120.96 g/mol. Its IUPAC name is 14,22-bis(4-methoxyphenyl)-18-methylhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;18-tert-butyl-14,22-bis(4-hexoxyphenyl)-5-methoxyhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3(8),4,6,9,11,13(23),14,16,18,20(24),21-dodecaene;18-tert-butyl-14,22-bis(4-methoxyphenyl)hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;18-tert-butyl-14,22-dinaphthalen-2-ylhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;2-(18-tert-butyl-14-pyridin-2-yl-22-hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaenyl)pyridine;2-(18-tert-butyl-14-thiophen-2-yl-22-hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaenyl)thiophene;7,18-ditert-butyl-14,22-bis(4-hexoxyphenyl)hexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;2-(10,26-ditert-butyl-14,22,34-trithiophen-2-yl-30-nonacyclo[22.6.2.25,8.02,19.04,17.06,15.07,12.021,31.028,32]tetratriaconta-1,3,5(34),6,8(33),9,11,13,15,17,19,21(31),22,24,26,28(32),29-heptadecaenyl)thiophene.

Molecular Properties

Compound Name14,22-bis(4-methoxyphenyl)-18-methylhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;18-tert-butyl-14,22-bis(4-hexoxyphenyl)-5-methoxyhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3(8),4,6,9,11,13(23),14,16,18,20(24),21-dodecaene;18-tert-butyl-14,22-bis(4-methoxyphenyl)hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;18-tert-butyl-14,22-dinaphthalen-2-ylhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;2-(18-tert-butyl-14-pyridin-2-yl-22-hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaenyl)pyridine;2-(18-tert-butyl-14-thiophen-2-yl-22-hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaenyl)thiophene;7,18-ditert-butyl-14,22-bis(4-hexoxyphenyl)hexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;2-(10,26-ditert-butyl-14,22,34-trithiophen-2-yl-30-nonacyclo[22.6.2.25,8.02,19.04,17.06,15.07,12.021,31.028,32]tetratriaconta-1,3,5(34),6,8(33),9,11,13,15,17,19,21(31),22,24,26,28(32),29-heptadecaenyl)thiophene
PubChem CID158294691
Molecular FormulaC370H310N2O9S6
Molecular Weight5120.96 g/mol
Exact Mass5116.22
IUPAC Name14,22-bis(4-methoxyphenyl)-18-methylhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;18-tert-butyl-14,22-bis(4-hexoxyphenyl)-5-methoxyhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3(8),4,6,9,11,13(23),14,16,18,20(24),21-dodecaene;18-tert-butyl-14,22-bis(4-methoxyphenyl)hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;18-tert-butyl-14,22-dinaphthalen-2-ylhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;2-(18-tert-butyl-14-pyridin-2-yl-22-hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaenyl)pyridine;2-(18-tert-butyl-14-thiophen-2-yl-22-hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaenyl)thiophene;7,18-ditert-butyl-14,22-bis(4-hexoxyphenyl)hexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;2-(10,26-ditert-butyl-14,22,34-trithiophen-2-yl-30-nonacyclo[22.6.2.25,8.02,19.04,17.06,15.07,12.021,31.028,32]tetratriaconta-1,3,5(34),6,8(33),9,11,13,15,17,19,21(31),22,24,26,28(32),29-heptadecaenyl)thiophene
SMILESCC(C)(C)c1cc2cc(-c3ccc4ccccc4c3)c3cc4ccc5ccccc5c4c4c(-c5ccc6ccccc6c5)cc(c1)c2c34.CC(C)(C)c1cc2cc(-c3ccccn3)c3cc4ccc5ccccc5c4c4c(-c5ccccn5)cc(c1)c2c34.CC(C)(C)c1cc2cc(-c3cccs3)c3cc4cc5cc6c(-c7cccs7)cc7cc(C(C)(C)C)cc8cc(-c9cccs9)c(c5cc4c4c(-c5cccs5)cc(c1)c2c34)c6c78.CC(C)(C)c1cc2cc(-c3cccs3)c3cc4ccc5ccccc5c4c4c(-c5cccs5)cc(c1)c2c34.CCCCCCOc1ccc(-c2cc3cc(C(C)(C)C)cc4cc(-c5ccc(OCCCCCC)cc5)c5c6c(ccc7ccc(OC)cc76)cc2c5c34)cc1.CCCCCCOc1ccc(-c2cc3cc(C(C)(C)C)cc4cc(-c5ccc(OCCCCCC)cc5)c5c6cc7ccc(C(C)(C)C)cc7cc6cc2c5c34)cc1.COc1ccc(-c2cc3cc(C(C)(C)C)cc4cc(-c5ccc(OC)cc5)c5c6c(ccc7ccccc76)cc2c5c34)cc1.COc1ccc(-c2cc3cc(C)cc4cc(-c5ccc(OC)cc5)c5c6c(ccc7ccccc76)cc2c5c34)cc1
InChIInChI=1S/C58H42S4.C56H62O2.C53H56O3.C48H34.C42H34O2.C39H28O2.C38H28N2.C36H26S2/c1-57(2,3)37-20-33-26-41(47-11-7-15-59-47)43-24-31-19-32-25-44-42(48-12-8-16-60-48)27-34-21-38(58(4,5)6)23-36-29-46(50-14-10-18-62-50)54(56(44)52(34)36)40(32)30-39(31)53-45(49-13-9-17-61-49)28-35(22-37)51(33)55(43)53;1-9-11-13-15-27-57-46-23-18-37(19-24-46)48-35-42-31-45(56(6,7)8)32-43-36-49(38-20-25-47(26-21-38)58-28-16-14-12-10-2)53-50-33-39-17-22-44(55(3,4)5)30-40(39)29-41(50)34-51(48)54(53)52(42)43;1-7-9-11-13-27-55-42-22-17-35(18-23-42)45-32-39-29-41(53(3,4)5)30-40-33-46(37-19-24-43(25-20-37)56-28-14-12-10-8-2)51-50-38(31-48(45)52(51)49(39)40)16-15-36-21-26-44(54-6)34-47(36)50;1-48(2,3)39-24-37-27-41(34-19-16-29-10-4-6-13-32(29)22-34)43-26-36-21-18-31-12-8-9-15-40(31)45(36)46-42(28-38(25-39)44(37)47(43)46)35-20-17-30-11-5-7-14-33(30)23-35;1-42(2,3)31-20-29-23-35(26-12-16-32(43-4)17-13-26)37-22-28-11-10-25-8-6-7-9-34(25)39(28)40-36(24-30(21-31)38(29)41(37)40)27-14-18-33(44-5)19-15-27;1-23-18-28-21-33(25-10-14-30(40-2)15-11-25)35-20-27-9-8-24-6-4-5-7-32(24)37(27)38-34(22-29(19-23)36(28)39(35)38)26-12-16-31(41-3)17-13-26;1-38(2,3)27-18-25-21-29(32-12-6-8-16-39-32)30-20-24-15-14-23-10-4-5-11-28(23)35(24)37-31(33-13-7-9-17-40-33)22-26(19-27)34(25)36(30)37;1-36(2,3)25-16-23-19-27(30-10-6-14-37-30)28-18-22-13-12-21-8-4-5-9-26(21)33(22)35-29(31-11-7-15-38-31)20-24(17-25)32(23)34(28)35/h7-30H,1-6H3;17-26,29-36H,9-16,27-28H2,1-8H3;15-26,29-34H,7-14,27-28H2,1-6H3;4-28H,1-3H3;6-24H,1-5H3;4-22H,1-3H3;4-22H,1-3H3;4-20H,1-3H3
InChIKeyGLTOOTRTVKTDDY-UHFFFAOYSA-N
XLogP109.36
TPSA108.85 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds47
Heavy Atoms387
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005120.96
LogP ≤ 5109.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 14,22-bis(4-methoxyphenyl)-18-methylhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;18-tert-butyl-14,22-bis(4-hexoxyphenyl)-5-methoxyhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3(8),4,6,9,11,13(23),14,16,18,20(24),21-dodecaene;18-tert-butyl-14,22-bis(4-methoxyphenyl)hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;18-tert-butyl-14,22-dinaphthalen-2-ylhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;2-(18-tert-butyl-14-pyridin-2-yl-22-hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaenyl)pyridine;2-(18-tert-butyl-14-thiophen-2-yl-22-hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaenyl)thiophene;7,18-ditert-butyl-14,22-bis(4-hexoxyphenyl)hexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;2-(10,26-ditert-butyl-14,22,34-trithiophen-2-yl-30-nonacyclo[22.6.2.25,8.02,19.04,17.06,15.07,12.021,31.028,32]tetratriaconta-1,3,5(34),6,8(33),9,11,13,15,17,19,21(31),22,24,26,28(32),29-heptadecaenyl)thiophene with MolForge

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Related Compounds

CID 158094792
CID 158094792
CID 158720881
CID 158720881
CID 160821444
CID 160821444
CID 161258371
CID 161258371
CID 161607841
CID 161607841
CID 161744062
CID 161744062
CID 166754530
CID 166754530
CID 58915728
CID 58915728
CID 58915734
CID 58915734
CID 88569173
CID 88569173
CID 137538075
CID 137538075
CID 137538115
CID 137538115

Frequently Asked Questions

What is the IUPAC name of 14,22-bis(4-methoxyphenyl)-18-methylhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;18-tert-butyl-14,22-bis(4-hexoxyphenyl)-5-methoxyhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3(8),4,6,9,11,13(23),14,16,18,20(24),21-dodecaene;18-tert-butyl-14,22-bis(4-methoxyphenyl)hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;18-tert-butyl-14,22-dinaphthalen-2-ylhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;2-(18-tert-butyl-14-pyridin-2-yl-22-hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaenyl)pyridine;2-(18-tert-butyl-14-thiophen-2-yl-22-hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaenyl)thiophene;7,18-ditert-butyl-14,22-bis(4-hexoxyphenyl)hexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;2-(10,26-ditert-butyl-14,22,34-trithiophen-2-yl-30-nonacyclo[22.6.2.25,8.02,19.04,17.06,15.07,12.021,31.028,32]tetratriaconta-1,3,5(34),6,8(33),9,11,13,15,17,19,21(31),22,24,26,28(32),29-heptadecaenyl)thiophene?
The IUPAC name of 14,22-bis(4-methoxyphenyl)-18-methylhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;18-tert-butyl-14,22-bis(4-hexoxyphenyl)-5-methoxyhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3(8),4,6,9,11,13(23),14,16,18,20(24),21-dodecaene;18-tert-butyl-14,22-bis(4-methoxyphenyl)hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;18-tert-butyl-14,22-dinaphthalen-2-ylhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;2-(18-tert-butyl-14-pyridin-2-yl-22-hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaenyl)pyridine;2-(18-tert-butyl-14-thiophen-2-yl-22-hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaenyl)thiophene;7,18-ditert-butyl-14,22-bis(4-hexoxyphenyl)hexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;2-(10,26-ditert-butyl-14,22,34-trithiophen-2-yl-30-nonacyclo[22.6.2.25,8.02,19.04,17.06,15.07,12.021,31.028,32]tetratriaconta-1,3,5(34),6,8(33),9,11,13,15,17,19,21(31),22,24,26,28(32),29-heptadecaenyl)thiophene (CID 158294691) is 14,22-bis(4-methoxyphenyl)-18-methylhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;18-tert-butyl-14,22-bis(4-hexoxyphenyl)-5-methoxyhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3(8),4,6,9,11,13(23),14,16,18,20(24),21-dodecaene;18-tert-butyl-14,22-bis(4-methoxyphenyl)hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;18-tert-butyl-14,22-dinaphthalen-2-ylhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;2-(18-tert-butyl-14-pyridin-2-yl-22-hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaenyl)pyridine;2-(18-tert-butyl-14-thiophen-2-yl-22-hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaenyl)thiophene;7,18-ditert-butyl-14,22-bis(4-hexoxyphenyl)hexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;2-(10,26-ditert-butyl-14,22,34-trithiophen-2-yl-30-nonacyclo[22.6.2.25,8.02,19.04,17.06,15.07,12.021,31.028,32]tetratriaconta-1,3,5(34),6,8(33),9,11,13,15,17,19,21(31),22,24,26,28(32),29-heptadecaenyl)thiophene.
What is the SMILES notation for 14,22-bis(4-methoxyphenyl)-18-methylhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;18-tert-butyl-14,22-bis(4-hexoxyphenyl)-5-methoxyhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3(8),4,6,9,11,13(23),14,16,18,20(24),21-dodecaene;18-tert-butyl-14,22-bis(4-methoxyphenyl)hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;18-tert-butyl-14,22-dinaphthalen-2-ylhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;2-(18-tert-butyl-14-pyridin-2-yl-22-hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaenyl)pyridine;2-(18-tert-butyl-14-thiophen-2-yl-22-hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaenyl)thiophene;7,18-ditert-butyl-14,22-bis(4-hexoxyphenyl)hexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;2-(10,26-ditert-butyl-14,22,34-trithiophen-2-yl-30-nonacyclo[22.6.2.25,8.02,19.04,17.06,15.07,12.021,31.028,32]tetratriaconta-1,3,5(34),6,8(33),9,11,13,15,17,19,21(31),22,24,26,28(32),29-heptadecaenyl)thiophene?
The canonical SMILES for 14,22-bis(4-methoxyphenyl)-18-methylhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;18-tert-butyl-14,22-bis(4-hexoxyphenyl)-5-methoxyhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3(8),4,6,9,11,13(23),14,16,18,20(24),21-dodecaene;18-tert-butyl-14,22-bis(4-methoxyphenyl)hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;18-tert-butyl-14,22-dinaphthalen-2-ylhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;2-(18-tert-butyl-14-pyridin-2-yl-22-hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaenyl)pyridine;2-(18-tert-butyl-14-thiophen-2-yl-22-hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaenyl)thiophene;7,18-ditert-butyl-14,22-bis(4-hexoxyphenyl)hexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;2-(10,26-ditert-butyl-14,22,34-trithiophen-2-yl-30-nonacyclo[22.6.2.25,8.02,19.04,17.06,15.07,12.021,31.028,32]tetratriaconta-1,3,5(34),6,8(33),9,11,13,15,17,19,21(31),22,24,26,28(32),29-heptadecaenyl)thiophene is CC(C)(C)c1cc2cc(-c3ccc4ccccc4c3)c3cc4ccc5ccccc5c4c4c(-c5ccc6ccccc6c5)cc(c1)c2c34.CC(C)(C)c1cc2cc(-c3ccccn3)c3cc4ccc5ccccc5c4c4c(-c5ccccn5)cc(c1)c2c34.CC(C)(C)c1cc2cc(-c3cccs3)c3cc4cc5cc6c(-c7cccs7)cc7cc(C(C)(C)C)cc8cc(-c9cccs9)c(c5cc4c4c(-c5cccs5)cc(c1)c2c34)c6c78.CC(C)(C)c1cc2cc(-c3cccs3)c3cc4ccc5ccccc5c4c4c(-c5cccs5)cc(c1)c2c34.CCCCCCOc1ccc(-c2cc3cc(C(C)(C)C)cc4cc(-c5ccc(OCCCCCC)cc5)c5c6c(ccc7ccc(OC)cc76)cc2c5c34)cc1.CCCCCCOc1ccc(-c2cc3cc(C(C)(C)C)cc4cc(-c5ccc(OCCCCCC)cc5)c5c6cc7ccc(C(C)(C)C)cc7cc6cc2c5c34)cc1.COc1ccc(-c2cc3cc(C(C)(C)C)cc4cc(-c5ccc(OC)cc5)c5c6c(ccc7ccccc76)cc2c5c34)cc1.COc1ccc(-c2cc3cc(C)cc4cc(-c5ccc(OC)cc5)c5c6c(ccc7ccccc76)cc2c5c34)cc1.
What is the InChIKey of 14,22-bis(4-methoxyphenyl)-18-methylhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;18-tert-butyl-14,22-bis(4-hexoxyphenyl)-5-methoxyhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3(8),4,6,9,11,13(23),14,16,18,20(24),21-dodecaene;18-tert-butyl-14,22-bis(4-methoxyphenyl)hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;18-tert-butyl-14,22-dinaphthalen-2-ylhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;2-(18-tert-butyl-14-pyridin-2-yl-22-hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaenyl)pyridine;2-(18-tert-butyl-14-thiophen-2-yl-22-hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaenyl)thiophene;7,18-ditert-butyl-14,22-bis(4-hexoxyphenyl)hexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;2-(10,26-ditert-butyl-14,22,34-trithiophen-2-yl-30-nonacyclo[22.6.2.25,8.02,19.04,17.06,15.07,12.021,31.028,32]tetratriaconta-1,3,5(34),6,8(33),9,11,13,15,17,19,21(31),22,24,26,28(32),29-heptadecaenyl)thiophene?
The InChIKey is GLTOOTRTVKTDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42S4.C56H62O2.C53H56O3.C48H34.C42H34O2.C39H28O2.C38H28N2.C36H26S2/c1-57(2,3)37-20-33-26-41(47-11-7-15-59-47)43-24-31-19-32-25-44-42(48-12-8-16-60-48)27-34-21-38(58(4,5)6)23-36-29-46(50-14-10-18-62-50)54(56(44)52(34)36)40(32)30-39(31)53-45(49-13-9-17-61-49)28-35(22-37)51(33)55(43)53;1-9-11-13-15-27-57-46-23-18-37(19-24-46)48-35-42-31-45(56(6,7)8)32-43-36-49(38-20-25-47(26-21-38)58-28-16-14-12-10-2)53-50-33-39-17-22-44(55(3,4)5)30-40(39)29-41(50)34-51(48)54(53)52(42)43;1-7-9-11-13-27-55-42-22-17-35(18-23-42)45-32-39-29-41(53(3,4)5)30-40-33-46(37-19-24-43(25-20-37)56-28-14-12-10-8-2)51-50-38(31-48(45)52(51)49(39)40)16-15-36-21-26-44(54-6)34-47(36)50;1-48(2,3)39-24-37-27-41(34-19-16-29-10-4-6-13-32(29)22-34)43-26-36-21-18-31-12-8-9-15-40(31)45(36)46-42(28-38(25-39)44(37)47(43)46)35-20-17-30-11-5-7-14-33(30)23-35;1-42(2,3)31-20-29-23-35(26-12-16-32(43-4)17-13-26)37-22-28-11-10-25-8-6-7-9-34(25)39(28)40-36(24-30(21-31)38(29)41(37)40)27-14-18-33(44-5)19-15-27;1-23-18-28-21-33(25-10-14-30(40-2)15-11-25)35-20-27-9-8-24-6-4-5-7-32(24)37(27)38-34(22-29(19-23)36(28)39(35)38)26-12-16-31(41-3)17-13-26;1-38(2,3)27-18-25-21-29(32-12-6-8-16-39-32)30-20-24-15-14-23-10-4-5-11-28(23)35(24)37-31(33-13-7-9-17-40-33)22-26(19-27)34(25)36(30)37;1-36(2,3)25-16-23-19-27(30-10-6-14-37-30)28-18-22-13-12-21-8-4-5-9-26(21)33(22)35-29(31-11-7-15-38-31)20-24(17-25)32(23)34(28)35/h7-30H,1-6H3;17-26,29-36H,9-16,27-28H2,1-8H3;15-26,29-34H,7-14,27-28H2,1-6H3;4-28H,1-3H3;6-24H,1-5H3;4-22H,1-3H3;4-22H,1-3H3;4-20H,1-3H3.
What are the key properties of 14,22-bis(4-methoxyphenyl)-18-methylhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;18-tert-butyl-14,22-bis(4-hexoxyphenyl)-5-methoxyhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3(8),4,6,9,11,13(23),14,16,18,20(24),21-dodecaene;18-tert-butyl-14,22-bis(4-methoxyphenyl)hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;18-tert-butyl-14,22-dinaphthalen-2-ylhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;2-(18-tert-butyl-14-pyridin-2-yl-22-hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaenyl)pyridine;2-(18-tert-butyl-14-thiophen-2-yl-22-hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaenyl)thiophene;7,18-ditert-butyl-14,22-bis(4-hexoxyphenyl)hexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;2-(10,26-ditert-butyl-14,22,34-trithiophen-2-yl-30-nonacyclo[22.6.2.25,8.02,19.04,17.06,15.07,12.021,31.028,32]tetratriaconta-1,3,5(34),6,8(33),9,11,13,15,17,19,21(31),22,24,26,28(32),29-heptadecaenyl)thiophene?
14,22-bis(4-methoxyphenyl)-18-methylhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;18-tert-butyl-14,22-bis(4-hexoxyphenyl)-5-methoxyhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3(8),4,6,9,11,13(23),14,16,18,20(24),21-dodecaene;18-tert-butyl-14,22-bis(4-methoxyphenyl)hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;18-tert-butyl-14,22-dinaphthalen-2-ylhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;2-(18-tert-butyl-14-pyridin-2-yl-22-hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaenyl)pyridine;2-(18-tert-butyl-14-thiophen-2-yl-22-hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaenyl)thiophene;7,18-ditert-butyl-14,22-bis(4-hexoxyphenyl)hexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;2-(10,26-ditert-butyl-14,22,34-trithiophen-2-yl-30-nonacyclo[22.6.2.25,8.02,19.04,17.06,15.07,12.021,31.028,32]tetratriaconta-1,3,5(34),6,8(33),9,11,13,15,17,19,21(31),22,24,26,28(32),29-heptadecaenyl)thiophene has a molecular weight of 5120.96 g/mol, XLogP of 109.36, 47 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 14,22-bis(4-methoxyphenyl)-18-methylhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;18-tert-butyl-14,22-bis(4-hexoxyphenyl)-5-methoxyhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3(8),4,6,9,11,13(23),14,16,18,20(24),21-dodecaene;18-tert-butyl-14,22-bis(4-methoxyphenyl)hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;18-tert-butyl-14,22-dinaphthalen-2-ylhexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;2-(18-tert-butyl-14-pyridin-2-yl-22-hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaenyl)pyridine;2-(18-tert-butyl-14-thiophen-2-yl-22-hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaenyl)thiophene;7,18-ditert-butyl-14,22-bis(4-hexoxyphenyl)hexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaene;2-(10,26-ditert-butyl-14,22,34-trithiophen-2-yl-30-nonacyclo[22.6.2.25,8.02,19.04,17.06,15.07,12.021,31.028,32]tetratriaconta-1,3,5(34),6,8(33),9,11,13,15,17,19,21(31),22,24,26,28(32),29-heptadecaenyl)thiophene is sourced from PubChem (CID 158294691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).