About 5,16-diphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18,20,22(29),23,25-pentadecaene;12,13,14,16,21,23-hexakis-phenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6(30),7,9,11(28),12,14,16,18,20,22,24,26(29)-pentadecaene;5-phenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(28),2,4,6,8,10(30),11,13,15,17(27),18,20,22(29),23,25-pentadecaene;5,16,21,23-tetraphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18,20,22,24,26(29)-pentadecaene;5,14,16-triphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18,20,22(29),23,25-pentadecaene;5,16,21-triphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18(29),19,21,23,25-pentadecaene
5,16-diphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18,20,22(29),23,25-pentadecaene;12,13,14,16,21,23-hexakis-phenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6(30),7,9,11(28),12,14,16,18,20,22,24,26(29)-pentadecaene;5-phenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(28),2,4,6,8,10(30),11,13,15,17(27),18,20,22(29),23,25-pentadecaene;5,16,21,23-tetraphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18,20,22,24,26(29)-pentadecaene;5,14,16-triphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18,20,22(29),23,25-pentadecaene;5,16,21-triphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18(29),19,21,23,25-pentadecaene (PubChem CID 157272779) has the molecular formula C294H172
and a molecular weight of 3704.61 g/mol. Its IUPAC name is 5,16-diphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18,20,22(29),23,25-pentadecaene;12,13,14,16,21,23-hexakis-phenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6(30),7,9,11(28),12,14,16,18,20,22,24,26(29)-pentadecaene;5-phenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(28),2,4,6,8,10(30),11,13,15,17(27),18,20,22(29),23,25-pentadecaene;5,16,21,23-tetraphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18,20,22,24,26(29)-pentadecaene;5,14,16-triphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18,20,22(29),23,25-pentadecaene;5,16,21-triphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18(29),19,21,23,25-pentadecaene.
Frequently Asked Questions
What is the IUPAC name of 5,16-diphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18,20,22(29),23,25-pentadecaene;12,13,14,16,21,23-hexakis-phenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6(30),7,9,11(28),12,14,16,18,20,22,24,26(29)-pentadecaene;5-phenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(28),2,4,6,8,10(30),11,13,15,17(27),18,20,22(29),23,25-pentadecaene;5,16,21,23-tetraphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18,20,22,24,26(29)-pentadecaene;5,14,16-triphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18,20,22(29),23,25-pentadecaene;5,16,21-triphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18(29),19,21,23,25-pentadecaene?
The IUPAC name of 5,16-diphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18,20,22(29),23,25-pentadecaene;12,13,14,16,21,23-hexakis-phenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6(30),7,9,11(28),12,14,16,18,20,22,24,26(29)-pentadecaene;5-phenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(28),2,4,6,8,10(30),11,13,15,17(27),18,20,22(29),23,25-pentadecaene;5,16,21,23-tetraphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18,20,22,24,26(29)-pentadecaene;5,14,16-triphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18,20,22(29),23,25-pentadecaene;5,16,21-triphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18(29),19,21,23,25-pentadecaene (CID 157272779) is 5,16-diphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18,20,22(29),23,25-pentadecaene;12,13,14,16,21,23-hexakis-phenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6(30),7,9,11(28),12,14,16,18,20,22,24,26(29)-pentadecaene;5-phenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(28),2,4,6,8,10(30),11,13,15,17(27),18,20,22(29),23,25-pentadecaene;5,16,21,23-tetraphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18,20,22,24,26(29)-pentadecaene;5,14,16-triphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18,20,22(29),23,25-pentadecaene;5,16,21-triphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18(29),19,21,23,25-pentadecaene.
What is the SMILES notation for 5,16-diphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18,20,22(29),23,25-pentadecaene;12,13,14,16,21,23-hexakis-phenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6(30),7,9,11(28),12,14,16,18,20,22,24,26(29)-pentadecaene;5-phenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(28),2,4,6,8,10(30),11,13,15,17(27),18,20,22(29),23,25-pentadecaene;5,16,21,23-tetraphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18,20,22,24,26(29)-pentadecaene;5,14,16-triphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18,20,22(29),23,25-pentadecaene;5,16,21-triphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18(29),19,21,23,25-pentadecaene?
The canonical SMILES for 5,16-diphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18,20,22(29),23,25-pentadecaene;12,13,14,16,21,23-hexakis-phenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6(30),7,9,11(28),12,14,16,18,20,22,24,26(29)-pentadecaene;5-phenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(28),2,4,6,8,10(30),11,13,15,17(27),18,20,22(29),23,25-pentadecaene;5,16,21,23-tetraphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18,20,22,24,26(29)-pentadecaene;5,14,16-triphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18,20,22(29),23,25-pentadecaene;5,16,21-triphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18(29),19,21,23,25-pentadecaene is c1ccc(-c2c(-c3ccccc3)c3c(-c4ccccc4)c4c(c5c6cccc7cccc(c(c2-c2ccccc2)c35)c76)-c2ccc(-c3ccccc3)c3c(-c5ccccc5)ccc-4c23)cc1.c1ccc(-c2ccc3c4c(cccc24)-c2c-3c(-c3ccccc3)c3cccc4c5cccc6c(-c7ccccc7)ccc(c2c34)c65)cc1.c1ccc(-c2ccc3c4c5c(c(-c6ccccc6)c6c(-c7ccccc7)ccc(c7cccc2c73)c64)-c2cccc3cccc-5c23)cc1.c1ccc(-c2ccc3c4c5c(c(-c6ccccc6)c6cccc(c7cccc2c73)c64)-c2ccc(-c3ccccc3)c3c(-c4ccccc4)ccc-5c23)cc1.c1ccc(-c2ccc3c4c5c(c(-c6ccccc6)c6cccc(c7cccc2c73)c64)-c2cccc3cccc-5c23)cc1.c1ccc(-c2ccc3c4c5c(cc6cccc(c7cccc2c73)c64)-c2cccc3cccc-5c23)cc1.
What is the InChIKey of 5,16-diphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18,20,22(29),23,25-pentadecaene;12,13,14,16,21,23-hexakis-phenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6(30),7,9,11(28),12,14,16,18,20,22,24,26(29)-pentadecaene;5-phenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(28),2,4,6,8,10(30),11,13,15,17(27),18,20,22(29),23,25-pentadecaene;5,16,21,23-tetraphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18,20,22,24,26(29)-pentadecaene;5,14,16-triphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18,20,22(29),23,25-pentadecaene;5,16,21-triphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18(29),19,21,23,25-pentadecaene?
The InChIKey is AYSRVEDXHQHARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H40.C54H32.2C48H28.C42H24.C36H20/c1-7-21-41(22-8-1)48-37-39-52-60-53(40-38-49(59(48)60)42-23-9-2-10-24-42)63-61(52)58(47-31-17-6-18-32-47)65-57(46-29-15-5-16-30-46)55(44-25-11-3-12-26-44)56(45-27-13-4-14-28-45)62-50-35-19-33-43-34-20-36-51(54(43)50)64(63)66(62)65;1-5-15-33(16-6-1)37-27-30-44-48-40(37)23-13-24-41(48)42-25-14-26-43-47(36-21-11-4-12-22-36)52-45-31-28-38(34-17-7-2-8-18-34)49-39(35-19-9-3-10-20-35)29-32-46(51(45)49)54(52)53(44)50(42)43;1-4-13-29(14-5-1)33-25-28-40-43-35(33)21-12-22-36(43)37-27-26-34(30-15-6-2-7-16-30)44-42(32-17-8-3-9-18-32)46-38-23-10-19-31-20-11-24-39(41(31)38)47(46)48(40)45(37)44;1-4-13-29(14-5-1)32-25-27-40-43-34(32)19-10-21-36(43)37-22-12-23-38-42(31-17-8-3-9-18-31)46-41-28-26-33(30-15-6-2-7-16-30)35-20-11-24-39(44(35)41)48(46)47(40)45(37)38;1-3-11-25(12-4-1)28-23-24-35-38-29(28)17-9-18-30(38)31-19-10-22-34-37(27-13-5-2-6-14-27)40-32-20-7-15-26-16-8-21-33(36(26)32)42(40)41(35)39(31)34;1-2-8-21(9-3-1)24-18-19-30-34-25(24)15-7-16-27(34)26-13-6-12-23-20-31-28-14-4-10-22-11-5-17-29(32(22)28)35(31)36(30)33(23)26/h1-40H;1-32H;2*1-28H;1-24H;1-20H.
What are the key properties of 5,16-diphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18,20,22(29),23,25-pentadecaene;12,13,14,16,21,23-hexakis-phenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6(30),7,9,11(28),12,14,16,18,20,22,24,26(29)-pentadecaene;5-phenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(28),2,4,6,8,10(30),11,13,15,17(27),18,20,22(29),23,25-pentadecaene;5,16,21,23-tetraphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18,20,22,24,26(29)-pentadecaene;5,14,16-triphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18,20,22(29),23,25-pentadecaene;5,16,21-triphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18(29),19,21,23,25-pentadecaene?
5,16-diphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18,20,22(29),23,25-pentadecaene;12,13,14,16,21,23-hexakis-phenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6(30),7,9,11(28),12,14,16,18,20,22,24,26(29)-pentadecaene;5-phenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(28),2,4,6,8,10(30),11,13,15,17(27),18,20,22(29),23,25-pentadecaene;5,16,21,23-tetraphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18,20,22,24,26(29)-pentadecaene;5,14,16-triphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18,20,22(29),23,25-pentadecaene;5,16,21-triphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18(29),19,21,23,25-pentadecaene has a molecular weight of 3704.61 g/mol, XLogP of 82.90, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,16-diphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18,20,22(29),23,25-pentadecaene;12,13,14,16,21,23-hexakis-phenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6(30),7,9,11(28),12,14,16,18,20,22,24,26(29)-pentadecaene;5-phenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(28),2,4,6,8,10(30),11,13,15,17(27),18,20,22(29),23,25-pentadecaene;5,16,21,23-tetraphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18,20,22,24,26(29)-pentadecaene;5,14,16-triphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18,20,22(29),23,25-pentadecaene;5,16,21-triphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18(29),19,21,23,25-pentadecaene is sourced from PubChem (CID 157272779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).