About 2-[[6-[12-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[6-[12-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[6-[12-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[6-[11-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]benzo[b]fluoren-11-yl]naphthalen-2-yl]oxymethyl]thiirane;2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaenyl]naphthalen-2-yl]oxymethyl]thiirane
2-[[6-[12-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[6-[12-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[6-[12-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[6-[11-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]benzo[b]fluoren-11-yl]naphthalen-2-yl]oxymethyl]thiirane;2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaenyl]naphthalen-2-yl]oxymethyl]thiirane (PubChem CID 159101774) has the molecular formula C231H168O16S4
and a molecular weight of 3328.14 g/mol. Its IUPAC name is 2-[[6-[12-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[6-[12-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[6-[12-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[6-[11-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]benzo[b]fluoren-11-yl]naphthalen-2-yl]oxymethyl]thiirane;2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaenyl]naphthalen-2-yl]oxymethyl]thiirane.
Frequently Asked Questions
What is the IUPAC name of 2-[[6-[12-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[6-[12-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[6-[12-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[6-[11-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]benzo[b]fluoren-11-yl]naphthalen-2-yl]oxymethyl]thiirane;2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaenyl]naphthalen-2-yl]oxymethyl]thiirane?
The IUPAC name of 2-[[6-[12-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[6-[12-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[6-[12-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[6-[11-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]benzo[b]fluoren-11-yl]naphthalen-2-yl]oxymethyl]thiirane;2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaenyl]naphthalen-2-yl]oxymethyl]thiirane (CID 159101774) is 2-[[6-[12-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[6-[12-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[6-[12-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[6-[11-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]benzo[b]fluoren-11-yl]naphthalen-2-yl]oxymethyl]thiirane;2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaenyl]naphthalen-2-yl]oxymethyl]thiirane.
What is the SMILES notation for 2-[[6-[12-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[6-[12-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[6-[12-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[6-[11-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]benzo[b]fluoren-11-yl]naphthalen-2-yl]oxymethyl]thiirane;2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaenyl]naphthalen-2-yl]oxymethyl]thiirane?
The canonical SMILES for 2-[[6-[12-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[6-[12-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[6-[12-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[6-[11-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]benzo[b]fluoren-11-yl]naphthalen-2-yl]oxymethyl]thiirane;2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaenyl]naphthalen-2-yl]oxymethyl]thiirane is c1ccc2c(c1)-c1cc3ccccc3cc1C2(c1ccc2cc(OCC3CS3)ccc2c1)c1ccc2cc(OCC3CS3)ccc2c1.c1ccc2c3c(ccc2c1)C(c1ccc2cc(OCC4CO4)ccc2c1)(c1ccc2cc(OCC4CO4)ccc2c1)c1c-3ccc2ccccc12.c1ccc2cc3c(cc2c1)-c1c(ccc2ccccc12)C3(c1ccc2cc(OCC3CO3)ccc2c1)c1ccc2cc(OCC3CO3)ccc2c1.c1ccc2cc3c(cc2c1)-c1cc2ccccc2cc1C3(c1ccc2cc(OCC3CS3)ccc2c1)c1ccc2cc(OCC3CS3)ccc2c1.c1ccc2cc3c(cc2c1)-c1ccc2ccccc2c1C3(c1ccc2cc(OCC3CO3)ccc2c1)c1ccc2cc(OCC3CO3)ccc2c1.
What is the InChIKey of 2-[[6-[12-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[6-[12-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[6-[12-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[6-[11-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]benzo[b]fluoren-11-yl]naphthalen-2-yl]oxymethyl]thiirane;2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaenyl]naphthalen-2-yl]oxymethyl]thiirane?
The InChIKey is KDJMDYMUKBSOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C47H34O4.C47H34O2S2.C43H32O2S2/c1-3-7-41-29(5-1)14-20-44-45(41)43-19-13-30-6-2-4-8-42(30)46(43)47(44,35-15-9-33-23-37(17-11-31(33)21-35)48-25-39-27-50-39)36-16-10-34-24-38(18-12-32(34)22-36)49-26-40-28-51-40;1-2-7-31-24-45-43(23-30(31)6-1)46-42-8-4-3-5-29(42)13-18-44(46)47(45,36-14-9-34-21-38(16-11-32(34)19-36)48-25-40-27-50-40)37-15-10-35-22-39(17-12-33(35)20-37)49-26-41-28-51-41;1-2-7-31-24-45-44(23-30(31)6-1)43-18-13-29-5-3-4-8-42(29)46(43)47(45,36-14-9-34-21-38(16-11-32(34)19-36)48-25-40-27-50-40)37-15-10-35-22-39(17-12-33(35)20-37)49-26-41-28-51-41;1-3-7-31-23-45-43(21-29(31)5-1)44-22-30-6-2-4-8-32(30)24-46(44)47(45,37-13-9-35-19-39(15-11-33(35)17-37)48-25-41-27-50-41)38-14-10-36-20-40(16-12-34(36)18-38)49-26-42-28-51-42;1-2-6-28-22-42-40(21-27(28)5-1)39-7-3-4-8-41(39)43(42,33-13-9-31-19-35(15-11-29(31)17-33)44-23-37-25-46-37)34-14-10-32-20-36(16-12-30(32)18-34)45-24-38-26-47-38/h1-24,39-40H,25-28H2;2*1-24,40-41H,25-28H2;1-24,41-42H,25-28H2;1-22,37-38H,23-26H2.
What are the key properties of 2-[[6-[12-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[6-[12-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[6-[12-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[6-[11-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]benzo[b]fluoren-11-yl]naphthalen-2-yl]oxymethyl]thiirane;2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaenyl]naphthalen-2-yl]oxymethyl]thiirane?
2-[[6-[12-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[6-[12-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[6-[12-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[6-[11-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]benzo[b]fluoren-11-yl]naphthalen-2-yl]oxymethyl]thiirane;2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaenyl]naphthalen-2-yl]oxymethyl]thiirane has a molecular weight of 3328.14 g/mol, XLogP of 52.80, 40 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[12-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[6-[12-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[6-[12-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[6-[11-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]benzo[b]fluoren-11-yl]naphthalen-2-yl]oxymethyl]thiirane;2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaenyl]naphthalen-2-yl]oxymethyl]thiirane is sourced from PubChem (CID 159101774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).