19,42-bis(3,5-dimethylphenyl)-10,12,16,33,35,39-hexamethylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8,10,12,14,16,18,20,22,24,26,28,30(49),31,33,35,37,39,41,43,45,47,51-hexacosaene;16,39-dimethyl-19,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8,10,12,14,16,18,20,22,24,26,28,30(49),31,33,35,37,39,41,43,45,47,51-hexacosaene;16,39-dimethyl-11,34-di(propan-2-yl)-19,42-bis(4-propan-2-ylphenyl)pentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8(13),9,11,14,16,18,20,22,24,26,28,30(49),31(36),32,34,37,39,41,43,45,47,51-hexacosaene;16-naphthalen-1-yl-19,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1(46),2,4,6,8,10,12,14(50),15,17,19,21,23,25(47),26,28(48),29,31,33,35,37(49),38,40,42,44,51-hexacosaene;11,16,34,39-tetratert-butyl-19,42-bis(4-tert-butylphenyl)pentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8(13),9,11,14,16,18,20,22,24,26,28,30(49),31(36),32,34,37,39,41,43,45,47,51-hexacosaene

C380H266 — CID 159521440

IUPAC19,42-bis(3,5-dimethylphenyl)-10,12,16,33,35,39-hexamethylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8,10,12,14,16,18,20,22,24,26,28,30(49),31,33,35,37,39,41,43,45,47,51-hexacosaene;16,39-dimethyl-19,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8,10,12,14,16,18,20,22,24,26,28,30(49),31,33,35,37,39,41,43,45,47,51-hexacosaene;16,39-dimethyl-11,34-di(propan-2-yl)-19,42-bis(4-propan-2-ylphenyl)pentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8(13),9,11,14,16,18,20,22,24,26,28,30(49),31(36),32,34,37,39,41,43,45,47,51-hexacosaene;16-naphthalen-1-yl-19,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1(46),2,4,6,8,10,12,14(50),15,17,19,21,23,25(47),26,28(48),29,31,33,35,37(49),38,40,42,44,51-hexacosaene;11,16,34,39-tetratert-butyl-19,42-bis(4-tert-butylphenyl)pentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8(13),9,11,14,16,18,20,22,24,26,28,30(49),31(36),32,34,37,39,41,43,45,47,51-hexacosaene
SMILESCC(C)(C)c1ccc(-c2c3cc(C(C)(C)C)cc4c5cc(C(C)(C)C)ccc5c(c34)c3c4ccc5c6ccc7c8c(-c9ccc(C(C)(C)C)cc9)c9cc(C(C)(C)C)cc%10c%11cc(C(C)(C)C)ccc%11c(c9%10)c8c8ccc(c9ccc(c23)c4c95)c6c78)cc1.Cc1cc(C)cc(-c2c3cc(C)cc4c5c(C)cc(C)cc5c(c34)c3c4ccc5c6ccc7c8c(-c9cc(C)cc(C)c9)c9cc(C)cc%10c%11c(C)cc(C)cc%11c(c9%10)c8c8ccc(c9ccc(c23)c4c95)c6c78)c1.Cc1cc2c(-c3ccc(C(C)C)cc3)c3c4ccc5c6ccc7c8c(ccc(c9ccc(c4c59)c3c3c4ccc(C(C)C)cc4c(c1)c23)c68)c1c(-c2ccc(C(C)C)cc2)c2cc(C)cc3c4cc(C(C)C)ccc4c(c23)c71.Cc1cc2c(-c3ccccc3)c3c4ccc5c6ccc7c8c(ccc(c9ccc(c4c59)c3c3c4ccccc4c(c1)c23)c68)c1c(-c2ccccc2)c2cc(C)cc3c4ccccc4c(c23)c71.c1ccc(-c2c3cccc4c5ccccc5c(c34)c3c4ccc5c6ccc7c8c(-c9ccccc9)c9cc(-c%10cccc%11ccccc%10%11)cc%10c%11ccccc%11c(c9%10)c8c8ccc(c9ccc(c23)c4c59)c6c78)cc1
InChIInChI=1S/C88H80.C78H60.C74H38.C74H52.C66H36/c1-83(2,3)47-23-19-45(20-24-47)69-67-43-51(87(13,14)15)41-65-63-39-49(85(7,8)9)27-29-57(63)77(75(65)67)81-61-37-33-55-54-32-36-60-74-62(38-34-56(72(54)74)53-31-35-59(79(69)81)73(61)71(53)55)82-78-58-30-28-50(86(10,11)12)40-64(58)66-42-52(88(16,17)18)44-68(76(66)78)70(80(60)82)46-21-25-48(26-22-46)84(4,5)6;1-37(2)43-11-15-45(16-12-43)65-63-33-41(9)31-61-59-35-47(39(5)6)19-21-53(59)73(71(61)63)77-57-29-25-51-50-24-28-56-70-58(30-26-52(68(50)70)49-23-27-55(75(65)77)69(57)67(49)51)78-74-54-22-20-48(40(7)8)36-60(54)62-32-42(10)34-64(72(62)74)66(76(56)78)46-17-13-44(14-18-46)38(3)4;1-3-16-40(17-4-1)61-54-28-14-27-47-45-22-9-11-24-48(45)69(65(47)54)73-57-35-31-52-51-30-34-56-67-58(36-32-53(64(51)67)50-29-33-55(71(61)73)66(57)63(50)52)74-70-49-25-12-10-23-46(49)59-37-42(44-26-13-20-39-15-7-8-21-43(39)44)38-60(68(59)70)62(72(56)74)41-18-5-2-6-19-41;1-33-19-34(2)24-43(23-33)61-57-31-39(7)29-53-59-41(9)21-37(5)27-55(59)73(67(53)57)71-51-17-13-47-46-12-16-50-66-52(18-14-48(64(46)66)45-11-15-49(69(61)71)65(51)63(45)47)72-70(50)62(44-25-35(3)20-36(4)26-44)58-32-40(8)30-54-60-42(10)22-38(6)28-56(60)74(72)68(54)58;1-33-29-49-37-17-9-11-19-39(37)61-59(49)51(31-33)53(35-13-5-3-6-14-35)63-45-25-21-41-44-24-28-48-58-46(26-22-42(56(44)58)43-23-27-47(65(61)63)57(45)55(41)43)64-54(36-15-7-4-8-16-36)52-32-34(2)30-50-38-18-10-12-20-40(38)62(60(50)52)66(48)64/h19-44H,1-18H3;11-40H,1-10H3;1-38H;11-32H,1-10H3;3-32H,1-2H3
InChIKeyMBVUUXFOIUAWCA-UHFFFAOYSA-N
MW4832.31 g/mol
LogP111.19
Rot. Bonds15

About 19,42-bis(3,5-dimethylphenyl)-10,12,16,33,35,39-hexamethylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8,10,12,14,16,18,20,22,24,26,28,30(49),31,33,35,37,39,41,43,45,47,51-hexacosaene;16,39-dimethyl-19,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8,10,12,14,16,18,20,22,24,26,28,30(49),31,33,35,37,39,41,43,45,47,51-hexacosaene;16,39-dimethyl-11,34-di(propan-2-yl)-19,42-bis(4-propan-2-ylphenyl)pentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8(13),9,11,14,16,18,20,22,24,26,28,30(49),31(36),32,34,37,39,41,43,45,47,51-hexacosaene;16-naphthalen-1-yl-19,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1(46),2,4,6,8,10,12,14(50),15,17,19,21,23,25(47),26,28(48),29,31,33,35,37(49),38,40,42,44,51-hexacosaene;11,16,34,39-tetratert-butyl-19,42-bis(4-tert-butylphenyl)pentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8(13),9,11,14,16,18,20,22,24,26,28,30(49),31(36),32,34,37,39,41,43,45,47,51-hexacosaene

19,42-bis(3,5-dimethylphenyl)-10,12,16,33,35,39-hexamethylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8,10,12,14,16,18,20,22,24,26,28,30(49),31,33,35,37,39,41,43,45,47,51-hexacosaene;16,39-dimethyl-19,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8,10,12,14,16,18,20,22,24,26,28,30(49),31,33,35,37,39,41,43,45,47,51-hexacosaene;16,39-dimethyl-11,34-di(propan-2-yl)-19,42-bis(4-propan-2-ylphenyl)pentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8(13),9,11,14,16,18,20,22,24,26,28,30(49),31(36),32,34,37,39,41,43,45,47,51-hexacosaene;16-naphthalen-1-yl-19,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1(46),2,4,6,8,10,12,14(50),15,17,19,21,23,25(47),26,28(48),29,31,33,35,37(49),38,40,42,44,51-hexacosaene;11,16,34,39-tetratert-butyl-19,42-bis(4-tert-butylphenyl)pentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8(13),9,11,14,16,18,20,22,24,26,28,30(49),31(36),32,34,37,39,41,43,45,47,51-hexacosaene (PubChem CID 159521440) has the molecular formula C380H266 and a molecular weight of 4832.31 g/mol. Its IUPAC name is 19,42-bis(3,5-dimethylphenyl)-10,12,16,33,35,39-hexamethylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8,10,12,14,16,18,20,22,24,26,28,30(49),31,33,35,37,39,41,43,45,47,51-hexacosaene;16,39-dimethyl-19,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8,10,12,14,16,18,20,22,24,26,28,30(49),31,33,35,37,39,41,43,45,47,51-hexacosaene;16,39-dimethyl-11,34-di(propan-2-yl)-19,42-bis(4-propan-2-ylphenyl)pentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8(13),9,11,14,16,18,20,22,24,26,28,30(49),31(36),32,34,37,39,41,43,45,47,51-hexacosaene;16-naphthalen-1-yl-19,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1(46),2,4,6,8,10,12,14(50),15,17,19,21,23,25(47),26,28(48),29,31,33,35,37(49),38,40,42,44,51-hexacosaene;11,16,34,39-tetratert-butyl-19,42-bis(4-tert-butylphenyl)pentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8(13),9,11,14,16,18,20,22,24,26,28,30(49),31(36),32,34,37,39,41,43,45,47,51-hexacosaene.

Molecular Properties

Compound Name19,42-bis(3,5-dimethylphenyl)-10,12,16,33,35,39-hexamethylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8,10,12,14,16,18,20,22,24,26,28,30(49),31,33,35,37,39,41,43,45,47,51-hexacosaene;16,39-dimethyl-19,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8,10,12,14,16,18,20,22,24,26,28,30(49),31,33,35,37,39,41,43,45,47,51-hexacosaene;16,39-dimethyl-11,34-di(propan-2-yl)-19,42-bis(4-propan-2-ylphenyl)pentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8(13),9,11,14,16,18,20,22,24,26,28,30(49),31(36),32,34,37,39,41,43,45,47,51-hexacosaene;16-naphthalen-1-yl-19,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1(46),2,4,6,8,10,12,14(50),15,17,19,21,23,25(47),26,28(48),29,31,33,35,37(49),38,40,42,44,51-hexacosaene;11,16,34,39-tetratert-butyl-19,42-bis(4-tert-butylphenyl)pentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8(13),9,11,14,16,18,20,22,24,26,28,30(49),31(36),32,34,37,39,41,43,45,47,51-hexacosaene
PubChem CID159521440
Molecular FormulaC380H266
Molecular Weight4832.31 g/mol
Exact Mass4828.08
IUPAC Name19,42-bis(3,5-dimethylphenyl)-10,12,16,33,35,39-hexamethylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8,10,12,14,16,18,20,22,24,26,28,30(49),31,33,35,37,39,41,43,45,47,51-hexacosaene;16,39-dimethyl-19,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8,10,12,14,16,18,20,22,24,26,28,30(49),31,33,35,37,39,41,43,45,47,51-hexacosaene;16,39-dimethyl-11,34-di(propan-2-yl)-19,42-bis(4-propan-2-ylphenyl)pentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8(13),9,11,14,16,18,20,22,24,26,28,30(49),31(36),32,34,37,39,41,43,45,47,51-hexacosaene;16-naphthalen-1-yl-19,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1(46),2,4,6,8,10,12,14(50),15,17,19,21,23,25(47),26,28(48),29,31,33,35,37(49),38,40,42,44,51-hexacosaene;11,16,34,39-tetratert-butyl-19,42-bis(4-tert-butylphenyl)pentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8(13),9,11,14,16,18,20,22,24,26,28,30(49),31(36),32,34,37,39,41,43,45,47,51-hexacosaene
SMILESCC(C)(C)c1ccc(-c2c3cc(C(C)(C)C)cc4c5cc(C(C)(C)C)ccc5c(c34)c3c4ccc5c6ccc7c8c(-c9ccc(C(C)(C)C)cc9)c9cc(C(C)(C)C)cc%10c%11cc(C(C)(C)C)ccc%11c(c9%10)c8c8ccc(c9ccc(c23)c4c95)c6c78)cc1.Cc1cc(C)cc(-c2c3cc(C)cc4c5c(C)cc(C)cc5c(c34)c3c4ccc5c6ccc7c8c(-c9cc(C)cc(C)c9)c9cc(C)cc%10c%11c(C)cc(C)cc%11c(c9%10)c8c8ccc(c9ccc(c23)c4c95)c6c78)c1.Cc1cc2c(-c3ccc(C(C)C)cc3)c3c4ccc5c6ccc7c8c(ccc(c9ccc(c4c59)c3c3c4ccc(C(C)C)cc4c(c1)c23)c68)c1c(-c2ccc(C(C)C)cc2)c2cc(C)cc3c4cc(C(C)C)ccc4c(c23)c71.Cc1cc2c(-c3ccccc3)c3c4ccc5c6ccc7c8c(ccc(c9ccc(c4c59)c3c3c4ccccc4c(c1)c23)c68)c1c(-c2ccccc2)c2cc(C)cc3c4ccccc4c(c23)c71.c1ccc(-c2c3cccc4c5ccccc5c(c34)c3c4ccc5c6ccc7c8c(-c9ccccc9)c9cc(-c%10cccc%11ccccc%10%11)cc%10c%11ccccc%11c(c9%10)c8c8ccc(c9ccc(c23)c4c59)c6c78)cc1
InChIInChI=1S/C88H80.C78H60.C74H38.C74H52.C66H36/c1-83(2,3)47-23-19-45(20-24-47)69-67-43-51(87(13,14)15)41-65-63-39-49(85(7,8)9)27-29-57(63)77(75(65)67)81-61-37-33-55-54-32-36-60-74-62(38-34-56(72(54)74)53-31-35-59(79(69)81)73(61)71(53)55)82-78-58-30-28-50(86(10,11)12)40-64(58)66-42-52(88(16,17)18)44-68(76(66)78)70(80(60)82)46-21-25-48(26-22-46)84(4,5)6;1-37(2)43-11-15-45(16-12-43)65-63-33-41(9)31-61-59-35-47(39(5)6)19-21-53(59)73(71(61)63)77-57-29-25-51-50-24-28-56-70-58(30-26-52(68(50)70)49-23-27-55(75(65)77)69(57)67(49)51)78-74-54-22-20-48(40(7)8)36-60(54)62-32-42(10)34-64(72(62)74)66(76(56)78)46-17-13-44(14-18-46)38(3)4;1-3-16-40(17-4-1)61-54-28-14-27-47-45-22-9-11-24-48(45)69(65(47)54)73-57-35-31-52-51-30-34-56-67-58(36-32-53(64(51)67)50-29-33-55(71(61)73)66(57)63(50)52)74-70-49-25-12-10-23-46(49)59-37-42(44-26-13-20-39-15-7-8-21-43(39)44)38-60(68(59)70)62(72(56)74)41-18-5-2-6-19-41;1-33-19-34(2)24-43(23-33)61-57-31-39(7)29-53-59-41(9)21-37(5)27-55(59)73(67(53)57)71-51-17-13-47-46-12-16-50-66-52(18-14-48(64(46)66)45-11-15-49(69(61)71)65(51)63(45)47)72-70(50)62(44-25-35(3)20-36(4)26-44)58-32-40(8)30-54-60-42(10)22-38(6)28-56(60)74(72)68(54)58;1-33-29-49-37-17-9-11-19-39(37)61-59(49)51(31-33)53(35-13-5-3-6-14-35)63-45-25-21-41-44-24-28-48-58-46(26-22-42(56(44)58)43-23-27-47(65(61)63)57(45)55(41)43)64-54(36-15-7-4-8-16-36)52-32-34(2)30-50-38-18-10-12-20-40(38)62(60(50)52)66(48)64/h19-44H,1-18H3;11-40H,1-10H3;1-38H;11-32H,1-10H3;3-32H,1-2H3
InChIKeyMBVUUXFOIUAWCA-UHFFFAOYSA-N
XLogP111.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms380
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004832.31
LogP ≤ 5111.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 19,42-bis(3,5-dimethylphenyl)-10,12,16,33,35,39-hexamethylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8,10,12,14,16,18,20,22,24,26,28,30(49),31,33,35,37,39,41,43,45,47,51-hexacosaene;16,39-dimethyl-19,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8,10,12,14,16,18,20,22,24,26,28,30(49),31,33,35,37,39,41,43,45,47,51-hexacosaene;16,39-dimethyl-11,34-di(propan-2-yl)-19,42-bis(4-propan-2-ylphenyl)pentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8(13),9,11,14,16,18,20,22,24,26,28,30(49),31(36),32,34,37,39,41,43,45,47,51-hexacosaene;16-naphthalen-1-yl-19,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1(46),2,4,6,8,10,12,14(50),15,17,19,21,23,25(47),26,28(48),29,31,33,35,37(49),38,40,42,44,51-hexacosaene;11,16,34,39-tetratert-butyl-19,42-bis(4-tert-butylphenyl)pentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8(13),9,11,14,16,18,20,22,24,26,28,30(49),31(36),32,34,37,39,41,43,45,47,51-hexacosaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 19,42-bis(3,5-dimethylphenyl)-10,12,16,33,35,39-hexamethylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8,10,12,14,16,18,20,22,24,26,28,30(49),31,33,35,37,39,41,43,45,47,51-hexacosaene;16,39-dimethyl-19,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8,10,12,14,16,18,20,22,24,26,28,30(49),31,33,35,37,39,41,43,45,47,51-hexacosaene;16,39-dimethyl-11,34-di(propan-2-yl)-19,42-bis(4-propan-2-ylphenyl)pentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8(13),9,11,14,16,18,20,22,24,26,28,30(49),31(36),32,34,37,39,41,43,45,47,51-hexacosaene;16-naphthalen-1-yl-19,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1(46),2,4,6,8,10,12,14(50),15,17,19,21,23,25(47),26,28(48),29,31,33,35,37(49),38,40,42,44,51-hexacosaene;11,16,34,39-tetratert-butyl-19,42-bis(4-tert-butylphenyl)pentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8(13),9,11,14,16,18,20,22,24,26,28,30(49),31(36),32,34,37,39,41,43,45,47,51-hexacosaene?
The IUPAC name of 19,42-bis(3,5-dimethylphenyl)-10,12,16,33,35,39-hexamethylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8,10,12,14,16,18,20,22,24,26,28,30(49),31,33,35,37,39,41,43,45,47,51-hexacosaene;16,39-dimethyl-19,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8,10,12,14,16,18,20,22,24,26,28,30(49),31,33,35,37,39,41,43,45,47,51-hexacosaene;16,39-dimethyl-11,34-di(propan-2-yl)-19,42-bis(4-propan-2-ylphenyl)pentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8(13),9,11,14,16,18,20,22,24,26,28,30(49),31(36),32,34,37,39,41,43,45,47,51-hexacosaene;16-naphthalen-1-yl-19,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1(46),2,4,6,8,10,12,14(50),15,17,19,21,23,25(47),26,28(48),29,31,33,35,37(49),38,40,42,44,51-hexacosaene;11,16,34,39-tetratert-butyl-19,42-bis(4-tert-butylphenyl)pentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8(13),9,11,14,16,18,20,22,24,26,28,30(49),31(36),32,34,37,39,41,43,45,47,51-hexacosaene (CID 159521440) is 19,42-bis(3,5-dimethylphenyl)-10,12,16,33,35,39-hexamethylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8,10,12,14,16,18,20,22,24,26,28,30(49),31,33,35,37,39,41,43,45,47,51-hexacosaene;16,39-dimethyl-19,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8,10,12,14,16,18,20,22,24,26,28,30(49),31,33,35,37,39,41,43,45,47,51-hexacosaene;16,39-dimethyl-11,34-di(propan-2-yl)-19,42-bis(4-propan-2-ylphenyl)pentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8(13),9,11,14,16,18,20,22,24,26,28,30(49),31(36),32,34,37,39,41,43,45,47,51-hexacosaene;16-naphthalen-1-yl-19,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1(46),2,4,6,8,10,12,14(50),15,17,19,21,23,25(47),26,28(48),29,31,33,35,37(49),38,40,42,44,51-hexacosaene;11,16,34,39-tetratert-butyl-19,42-bis(4-tert-butylphenyl)pentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8(13),9,11,14,16,18,20,22,24,26,28,30(49),31(36),32,34,37,39,41,43,45,47,51-hexacosaene.
What is the SMILES notation for 19,42-bis(3,5-dimethylphenyl)-10,12,16,33,35,39-hexamethylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8,10,12,14,16,18,20,22,24,26,28,30(49),31,33,35,37,39,41,43,45,47,51-hexacosaene;16,39-dimethyl-19,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8,10,12,14,16,18,20,22,24,26,28,30(49),31,33,35,37,39,41,43,45,47,51-hexacosaene;16,39-dimethyl-11,34-di(propan-2-yl)-19,42-bis(4-propan-2-ylphenyl)pentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8(13),9,11,14,16,18,20,22,24,26,28,30(49),31(36),32,34,37,39,41,43,45,47,51-hexacosaene;16-naphthalen-1-yl-19,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1(46),2,4,6,8,10,12,14(50),15,17,19,21,23,25(47),26,28(48),29,31,33,35,37(49),38,40,42,44,51-hexacosaene;11,16,34,39-tetratert-butyl-19,42-bis(4-tert-butylphenyl)pentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8(13),9,11,14,16,18,20,22,24,26,28,30(49),31(36),32,34,37,39,41,43,45,47,51-hexacosaene?
The canonical SMILES for 19,42-bis(3,5-dimethylphenyl)-10,12,16,33,35,39-hexamethylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8,10,12,14,16,18,20,22,24,26,28,30(49),31,33,35,37,39,41,43,45,47,51-hexacosaene;16,39-dimethyl-19,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8,10,12,14,16,18,20,22,24,26,28,30(49),31,33,35,37,39,41,43,45,47,51-hexacosaene;16,39-dimethyl-11,34-di(propan-2-yl)-19,42-bis(4-propan-2-ylphenyl)pentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8(13),9,11,14,16,18,20,22,24,26,28,30(49),31(36),32,34,37,39,41,43,45,47,51-hexacosaene;16-naphthalen-1-yl-19,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1(46),2,4,6,8,10,12,14(50),15,17,19,21,23,25(47),26,28(48),29,31,33,35,37(49),38,40,42,44,51-hexacosaene;11,16,34,39-tetratert-butyl-19,42-bis(4-tert-butylphenyl)pentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8(13),9,11,14,16,18,20,22,24,26,28,30(49),31(36),32,34,37,39,41,43,45,47,51-hexacosaene is CC(C)(C)c1ccc(-c2c3cc(C(C)(C)C)cc4c5cc(C(C)(C)C)ccc5c(c34)c3c4ccc5c6ccc7c8c(-c9ccc(C(C)(C)C)cc9)c9cc(C(C)(C)C)cc%10c%11cc(C(C)(C)C)ccc%11c(c9%10)c8c8ccc(c9ccc(c23)c4c95)c6c78)cc1.Cc1cc(C)cc(-c2c3cc(C)cc4c5c(C)cc(C)cc5c(c34)c3c4ccc5c6ccc7c8c(-c9cc(C)cc(C)c9)c9cc(C)cc%10c%11c(C)cc(C)cc%11c(c9%10)c8c8ccc(c9ccc(c23)c4c95)c6c78)c1.Cc1cc2c(-c3ccc(C(C)C)cc3)c3c4ccc5c6ccc7c8c(ccc(c9ccc(c4c59)c3c3c4ccc(C(C)C)cc4c(c1)c23)c68)c1c(-c2ccc(C(C)C)cc2)c2cc(C)cc3c4cc(C(C)C)ccc4c(c23)c71.Cc1cc2c(-c3ccccc3)c3c4ccc5c6ccc7c8c(ccc(c9ccc(c4c59)c3c3c4ccccc4c(c1)c23)c68)c1c(-c2ccccc2)c2cc(C)cc3c4ccccc4c(c23)c71.c1ccc(-c2c3cccc4c5ccccc5c(c34)c3c4ccc5c6ccc7c8c(-c9ccccc9)c9cc(-c%10cccc%11ccccc%10%11)cc%10c%11ccccc%11c(c9%10)c8c8ccc(c9ccc(c23)c4c59)c6c78)cc1.
What is the InChIKey of 19,42-bis(3,5-dimethylphenyl)-10,12,16,33,35,39-hexamethylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8,10,12,14,16,18,20,22,24,26,28,30(49),31,33,35,37,39,41,43,45,47,51-hexacosaene;16,39-dimethyl-19,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8,10,12,14,16,18,20,22,24,26,28,30(49),31,33,35,37,39,41,43,45,47,51-hexacosaene;16,39-dimethyl-11,34-di(propan-2-yl)-19,42-bis(4-propan-2-ylphenyl)pentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8(13),9,11,14,16,18,20,22,24,26,28,30(49),31(36),32,34,37,39,41,43,45,47,51-hexacosaene;16-naphthalen-1-yl-19,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1(46),2,4,6,8,10,12,14(50),15,17,19,21,23,25(47),26,28(48),29,31,33,35,37(49),38,40,42,44,51-hexacosaene;11,16,34,39-tetratert-butyl-19,42-bis(4-tert-butylphenyl)pentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8(13),9,11,14,16,18,20,22,24,26,28,30(49),31(36),32,34,37,39,41,43,45,47,51-hexacosaene?
The InChIKey is MBVUUXFOIUAWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H80.C78H60.C74H38.C74H52.C66H36/c1-83(2,3)47-23-19-45(20-24-47)69-67-43-51(87(13,14)15)41-65-63-39-49(85(7,8)9)27-29-57(63)77(75(65)67)81-61-37-33-55-54-32-36-60-74-62(38-34-56(72(54)74)53-31-35-59(79(69)81)73(61)71(53)55)82-78-58-30-28-50(86(10,11)12)40-64(58)66-42-52(88(16,17)18)44-68(76(66)78)70(80(60)82)46-21-25-48(26-22-46)84(4,5)6;1-37(2)43-11-15-45(16-12-43)65-63-33-41(9)31-61-59-35-47(39(5)6)19-21-53(59)73(71(61)63)77-57-29-25-51-50-24-28-56-70-58(30-26-52(68(50)70)49-23-27-55(75(65)77)69(57)67(49)51)78-74-54-22-20-48(40(7)8)36-60(54)62-32-42(10)34-64(72(62)74)66(76(56)78)46-17-13-44(14-18-46)38(3)4;1-3-16-40(17-4-1)61-54-28-14-27-47-45-22-9-11-24-48(45)69(65(47)54)73-57-35-31-52-51-30-34-56-67-58(36-32-53(64(51)67)50-29-33-55(71(61)73)66(57)63(50)52)74-70-49-25-12-10-23-46(49)59-37-42(44-26-13-20-39-15-7-8-21-43(39)44)38-60(68(59)70)62(72(56)74)41-18-5-2-6-19-41;1-33-19-34(2)24-43(23-33)61-57-31-39(7)29-53-59-41(9)21-37(5)27-55(59)73(67(53)57)71-51-17-13-47-46-12-16-50-66-52(18-14-48(64(46)66)45-11-15-49(69(61)71)65(51)63(45)47)72-70(50)62(44-25-35(3)20-36(4)26-44)58-32-40(8)30-54-60-42(10)22-38(6)28-56(60)74(72)68(54)58;1-33-29-49-37-17-9-11-19-39(37)61-59(49)51(31-33)53(35-13-5-3-6-14-35)63-45-25-21-41-44-24-28-48-58-46(26-22-42(56(44)58)43-23-27-47(65(61)63)57(45)55(41)43)64-54(36-15-7-4-8-16-36)52-32-34(2)30-50-38-18-10-12-20-40(38)62(60(50)52)66(48)64/h19-44H,1-18H3;11-40H,1-10H3;1-38H;11-32H,1-10H3;3-32H,1-2H3.
What are the key properties of 19,42-bis(3,5-dimethylphenyl)-10,12,16,33,35,39-hexamethylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8,10,12,14,16,18,20,22,24,26,28,30(49),31,33,35,37,39,41,43,45,47,51-hexacosaene;16,39-dimethyl-19,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8,10,12,14,16,18,20,22,24,26,28,30(49),31,33,35,37,39,41,43,45,47,51-hexacosaene;16,39-dimethyl-11,34-di(propan-2-yl)-19,42-bis(4-propan-2-ylphenyl)pentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8(13),9,11,14,16,18,20,22,24,26,28,30(49),31(36),32,34,37,39,41,43,45,47,51-hexacosaene;16-naphthalen-1-yl-19,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1(46),2,4,6,8,10,12,14(50),15,17,19,21,23,25(47),26,28(48),29,31,33,35,37(49),38,40,42,44,51-hexacosaene;11,16,34,39-tetratert-butyl-19,42-bis(4-tert-butylphenyl)pentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8(13),9,11,14,16,18,20,22,24,26,28,30(49),31(36),32,34,37,39,41,43,45,47,51-hexacosaene?
19,42-bis(3,5-dimethylphenyl)-10,12,16,33,35,39-hexamethylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8,10,12,14,16,18,20,22,24,26,28,30(49),31,33,35,37,39,41,43,45,47,51-hexacosaene;16,39-dimethyl-19,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8,10,12,14,16,18,20,22,24,26,28,30(49),31,33,35,37,39,41,43,45,47,51-hexacosaene;16,39-dimethyl-11,34-di(propan-2-yl)-19,42-bis(4-propan-2-ylphenyl)pentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8(13),9,11,14,16,18,20,22,24,26,28,30(49),31(36),32,34,37,39,41,43,45,47,51-hexacosaene;16-naphthalen-1-yl-19,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1(46),2,4,6,8,10,12,14(50),15,17,19,21,23,25(47),26,28(48),29,31,33,35,37(49),38,40,42,44,51-hexacosaene;11,16,34,39-tetratert-butyl-19,42-bis(4-tert-butylphenyl)pentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8(13),9,11,14,16,18,20,22,24,26,28,30(49),31(36),32,34,37,39,41,43,45,47,51-hexacosaene has a molecular weight of 4832.31 g/mol, XLogP of 111.19, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 19,42-bis(3,5-dimethylphenyl)-10,12,16,33,35,39-hexamethylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8,10,12,14,16,18,20,22,24,26,28,30(49),31,33,35,37,39,41,43,45,47,51-hexacosaene;16,39-dimethyl-19,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8,10,12,14,16,18,20,22,24,26,28,30(49),31,33,35,37,39,41,43,45,47,51-hexacosaene;16,39-dimethyl-11,34-di(propan-2-yl)-19,42-bis(4-propan-2-ylphenyl)pentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8(13),9,11,14,16,18,20,22,24,26,28,30(49),31(36),32,34,37,39,41,43,45,47,51-hexacosaene;16-naphthalen-1-yl-19,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1(46),2,4,6,8,10,12,14(50),15,17,19,21,23,25(47),26,28(48),29,31,33,35,37(49),38,40,42,44,51-hexacosaene;11,16,34,39-tetratert-butyl-19,42-bis(4-tert-butylphenyl)pentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8(13),9,11,14,16,18,20,22,24,26,28,30(49),31(36),32,34,37,39,41,43,45,47,51-hexacosaene is sourced from PubChem (CID 159521440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).