About 3,19-bis(4-tert-butylphenyl)-37,44-dimethyltridecacyclo[22.17.2.225,28.15,9.02,20.04,18.010,15.021,42.026,38.027,35.029,34.039,43.016,46]hexatetraconta-1(41),2,4(18),5,7,9(46),10,12,14,16,19,21(42),22,24(43),25,27,29,31,33,35,37,39,44-tricosaene;10-fluoranthen-3-yl-3,15-bis(3-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene;8-fluoranthen-8-yl-3-phenyl-15-(3-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene;3-[3-(4-naphthalen-1-ylphenyl)phenyl]-15-phenyl-8-(10-phenylanthracen-9-yl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene
3,19-bis(4-tert-butylphenyl)-37,44-dimethyltridecacyclo[22.17.2.225,28.15,9.02,20.04,18.010,15.021,42.026,38.027,35.029,34.039,43.016,46]hexatetraconta-1(41),2,4(18),5,7,9(46),10,12,14,16,19,21(42),22,24(43),25,27,29,31,33,35,37,39,44-tricosaene;10-fluoranthen-3-yl-3,15-bis(3-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene;8-fluoranthen-8-yl-3-phenyl-15-(3-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene;3-[3-(4-naphthalen-1-ylphenyl)phenyl]-15-phenyl-8-(10-phenylanthracen-9-yl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene (PubChem CID 160622840) has the molecular formula C280H172
and a molecular weight of 3536.46 g/mol. Its IUPAC name is 3,19-bis(4-tert-butylphenyl)-37,44-dimethyltridecacyclo[22.17.2.225,28.15,9.02,20.04,18.010,15.021,42.026,38.027,35.029,34.039,43.016,46]hexatetraconta-1(41),2,4(18),5,7,9(46),10,12,14,16,19,21(42),22,24(43),25,27,29,31,33,35,37,39,44-tricosaene;10-fluoranthen-3-yl-3,15-bis(3-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene;8-fluoranthen-8-yl-3-phenyl-15-(3-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene;3-[3-(4-naphthalen-1-ylphenyl)phenyl]-15-phenyl-8-(10-phenylanthracen-9-yl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene.
Frequently Asked Questions
What is the IUPAC name of 3,19-bis(4-tert-butylphenyl)-37,44-dimethyltridecacyclo[22.17.2.225,28.15,9.02,20.04,18.010,15.021,42.026,38.027,35.029,34.039,43.016,46]hexatetraconta-1(41),2,4(18),5,7,9(46),10,12,14,16,19,21(42),22,24(43),25,27,29,31,33,35,37,39,44-tricosaene;10-fluoranthen-3-yl-3,15-bis(3-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene;8-fluoranthen-8-yl-3-phenyl-15-(3-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene;3-[3-(4-naphthalen-1-ylphenyl)phenyl]-15-phenyl-8-(10-phenylanthracen-9-yl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene?
The IUPAC name of 3,19-bis(4-tert-butylphenyl)-37,44-dimethyltridecacyclo[22.17.2.225,28.15,9.02,20.04,18.010,15.021,42.026,38.027,35.029,34.039,43.016,46]hexatetraconta-1(41),2,4(18),5,7,9(46),10,12,14,16,19,21(42),22,24(43),25,27,29,31,33,35,37,39,44-tricosaene;10-fluoranthen-3-yl-3,15-bis(3-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene;8-fluoranthen-8-yl-3-phenyl-15-(3-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene;3-[3-(4-naphthalen-1-ylphenyl)phenyl]-15-phenyl-8-(10-phenylanthracen-9-yl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene (CID 160622840) is 3,19-bis(4-tert-butylphenyl)-37,44-dimethyltridecacyclo[22.17.2.225,28.15,9.02,20.04,18.010,15.021,42.026,38.027,35.029,34.039,43.016,46]hexatetraconta-1(41),2,4(18),5,7,9(46),10,12,14,16,19,21(42),22,24(43),25,27,29,31,33,35,37,39,44-tricosaene;10-fluoranthen-3-yl-3,15-bis(3-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene;8-fluoranthen-8-yl-3-phenyl-15-(3-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene;3-[3-(4-naphthalen-1-ylphenyl)phenyl]-15-phenyl-8-(10-phenylanthracen-9-yl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene.
What is the SMILES notation for 3,19-bis(4-tert-butylphenyl)-37,44-dimethyltridecacyclo[22.17.2.225,28.15,9.02,20.04,18.010,15.021,42.026,38.027,35.029,34.039,43.016,46]hexatetraconta-1(41),2,4(18),5,7,9(46),10,12,14,16,19,21(42),22,24(43),25,27,29,31,33,35,37,39,44-tricosaene;10-fluoranthen-3-yl-3,15-bis(3-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene;8-fluoranthen-8-yl-3-phenyl-15-(3-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene;3-[3-(4-naphthalen-1-ylphenyl)phenyl]-15-phenyl-8-(10-phenylanthracen-9-yl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene?
The canonical SMILES for 3,19-bis(4-tert-butylphenyl)-37,44-dimethyltridecacyclo[22.17.2.225,28.15,9.02,20.04,18.010,15.021,42.026,38.027,35.029,34.039,43.016,46]hexatetraconta-1(41),2,4(18),5,7,9(46),10,12,14,16,19,21(42),22,24(43),25,27,29,31,33,35,37,39,44-tricosaene;10-fluoranthen-3-yl-3,15-bis(3-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene;8-fluoranthen-8-yl-3-phenyl-15-(3-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene;3-[3-(4-naphthalen-1-ylphenyl)phenyl]-15-phenyl-8-(10-phenylanthracen-9-yl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene is Cc1cc2c3ccc4c5c(-c6ccc(C(C)(C)C)cc6)c6cc7c8ccccc8c8cccc(c6c(-c6ccc(C(C)(C)C)cc6)c5c5ccc(c6c(C)cc9c(c1-c1ccccc1-9)c26)c3c45)c87.c1ccc(-c2c3ccccc3c(-c3ccc4c5c(-c6cccc(-c7ccc(-c8cccc9ccccc89)cc7)c6)c6c(cc7c8ccccc8c8cccc6c87)c(-c6ccccc6)c5c5cccc3c54)c3ccccc23)cc1.c1ccc(-c2cccc(-c3c4cc5c6ccccc6c6cccc(c4c(-c4cccc(-c7ccccc7)c4)c4c7cccc8c(-c9ccc%10c%11c(cccc9%11)-c9ccccc9-%10)ccc(c34)c87)c65)c2)cc1.c1ccc(-c2cccc(-c3c4cc5c6ccccc6c6cccc(c4c(-c4ccccc4)c4c7ccc(-c8ccc9c(c8)-c8cccc%10cccc-9c8%10)c8cccc(c34)c87)c65)c2)cc1.
What is the InChIKey of 3,19-bis(4-tert-butylphenyl)-37,44-dimethyltridecacyclo[22.17.2.225,28.15,9.02,20.04,18.010,15.021,42.026,38.027,35.029,34.039,43.016,46]hexatetraconta-1(41),2,4(18),5,7,9(46),10,12,14,16,19,21(42),22,24(43),25,27,29,31,33,35,37,39,44-tricosaene;10-fluoranthen-3-yl-3,15-bis(3-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene;8-fluoranthen-8-yl-3-phenyl-15-(3-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene;3-[3-(4-naphthalen-1-ylphenyl)phenyl]-15-phenyl-8-(10-phenylanthracen-9-yl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene?
The InChIKey is RGXRZAMJBFQUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H46.C70H40.C68H50.C64H36/c1-3-20-50(21-4-1)70-59-30-11-13-32-61(59)73(62-33-14-12-31-60(62)70)64-43-44-67-74-63(64)36-18-38-66(74)77-71(51-22-5-2-6-23-51)69-46-68-57-29-10-9-28-56(57)58-35-17-37-65(75(58)68)76(69)72(78(67)77)53-26-15-25-52(45-53)47-39-41-49(42-40-47)55-34-16-24-48-19-7-8-27-54(48)55;1-3-16-41(17-4-1)43-20-11-22-45(38-43)63-62-40-61-50-27-10-9-26-49(50)54-30-14-32-58(67(54)61)68(62)64(46-23-12-21-44(39-46)42-18-5-2-6-19-42)70-59-33-15-31-56-52(35-37-60(66(56)59)69(63)70)51-34-36-57-48-25-8-7-24-47(48)53-28-13-29-55(51)65(53)57;1-35-33-52-46-28-29-49-61-50(31-30-48(60(46)61)56-36(2)32-51-43-16-11-12-17-44(43)55(35)65(51)66(52)56)64-58(38-22-26-40(27-23-38)68(6,7)8)62-47-19-13-18-45-41-14-9-10-15-42(41)53(59(45)47)34-54(62)57(63(49)64)37-20-24-39(25-21-37)67(3,4)5;1-3-14-37(15-4-1)40-20-9-21-42(34-40)58-56-36-55-45-23-8-7-22-44(45)49-27-13-28-51(61(49)55)62(56)59(39-16-5-2-6-17-39)64-53-33-32-43(47-26-12-29-52(60(47)53)63(58)64)41-30-31-46-48-24-10-18-38-19-11-25-50(57(38)48)54(46)35-41/h1-46H;1-40H;9-34H,1-8H3;1-36H.
What are the key properties of 3,19-bis(4-tert-butylphenyl)-37,44-dimethyltridecacyclo[22.17.2.225,28.15,9.02,20.04,18.010,15.021,42.026,38.027,35.029,34.039,43.016,46]hexatetraconta-1(41),2,4(18),5,7,9(46),10,12,14,16,19,21(42),22,24(43),25,27,29,31,33,35,37,39,44-tricosaene;10-fluoranthen-3-yl-3,15-bis(3-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene;8-fluoranthen-8-yl-3-phenyl-15-(3-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene;3-[3-(4-naphthalen-1-ylphenyl)phenyl]-15-phenyl-8-(10-phenylanthracen-9-yl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene?
3,19-bis(4-tert-butylphenyl)-37,44-dimethyltridecacyclo[22.17.2.225,28.15,9.02,20.04,18.010,15.021,42.026,38.027,35.029,34.039,43.016,46]hexatetraconta-1(41),2,4(18),5,7,9(46),10,12,14,16,19,21(42),22,24(43),25,27,29,31,33,35,37,39,44-tricosaene;10-fluoranthen-3-yl-3,15-bis(3-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene;8-fluoranthen-8-yl-3-phenyl-15-(3-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene;3-[3-(4-naphthalen-1-ylphenyl)phenyl]-15-phenyl-8-(10-phenylanthracen-9-yl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene has a molecular weight of 3536.46 g/mol, XLogP of 79.69, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,19-bis(4-tert-butylphenyl)-37,44-dimethyltridecacyclo[22.17.2.225,28.15,9.02,20.04,18.010,15.021,42.026,38.027,35.029,34.039,43.016,46]hexatetraconta-1(41),2,4(18),5,7,9(46),10,12,14,16,19,21(42),22,24(43),25,27,29,31,33,35,37,39,44-tricosaene;10-fluoranthen-3-yl-3,15-bis(3-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene;8-fluoranthen-8-yl-3-phenyl-15-(3-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene;3-[3-(4-naphthalen-1-ylphenyl)phenyl]-15-phenyl-8-(10-phenylanthracen-9-yl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene is sourced from PubChem (CID 160622840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).