About 2-[3-[12,12-dimethyl-15-[3-(1,3-oxazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-oxazole;2-[3-[12,12-dimethyl-15-[3-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[3-[12,12-diphenyl-15-[3-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[3-[15-[3-(1,3-oxazol-2-yl)phenyl]-12,12-diphenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-oxazole;2-[3-[4-[4-[3-(1,3-oxazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-oxazole
2-[3-[12,12-dimethyl-15-[3-(1,3-oxazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-oxazole;2-[3-[12,12-dimethyl-15-[3-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[3-[12,12-diphenyl-15-[3-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[3-[15-[3-(1,3-oxazol-2-yl)phenyl]-12,12-diphenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-oxazole;2-[3-[4-[4-[3-(1,3-oxazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-oxazole (PubChem CID 157483575) has the molecular formula C222H144N10O6S4
and a molecular weight of 3175.93 g/mol. Its IUPAC name is 2-[3-[12,12-dimethyl-15-[3-(1,3-oxazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-oxazole;2-[3-[12,12-dimethyl-15-[3-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[3-[12,12-diphenyl-15-[3-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[3-[15-[3-(1,3-oxazol-2-yl)phenyl]-12,12-diphenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-oxazole;2-[3-[4-[4-[3-(1,3-oxazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-oxazole.
Frequently Asked Questions
What is the IUPAC name of 2-[3-[12,12-dimethyl-15-[3-(1,3-oxazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-oxazole;2-[3-[12,12-dimethyl-15-[3-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[3-[12,12-diphenyl-15-[3-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[3-[15-[3-(1,3-oxazol-2-yl)phenyl]-12,12-diphenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-oxazole;2-[3-[4-[4-[3-(1,3-oxazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-oxazole?
The IUPAC name of 2-[3-[12,12-dimethyl-15-[3-(1,3-oxazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-oxazole;2-[3-[12,12-dimethyl-15-[3-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[3-[12,12-diphenyl-15-[3-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[3-[15-[3-(1,3-oxazol-2-yl)phenyl]-12,12-diphenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-oxazole;2-[3-[4-[4-[3-(1,3-oxazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-oxazole (CID 157483575) is 2-[3-[12,12-dimethyl-15-[3-(1,3-oxazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-oxazole;2-[3-[12,12-dimethyl-15-[3-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[3-[12,12-diphenyl-15-[3-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[3-[15-[3-(1,3-oxazol-2-yl)phenyl]-12,12-diphenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-oxazole;2-[3-[4-[4-[3-(1,3-oxazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-oxazole.
What is the SMILES notation for 2-[3-[12,12-dimethyl-15-[3-(1,3-oxazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-oxazole;2-[3-[12,12-dimethyl-15-[3-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[3-[12,12-diphenyl-15-[3-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[3-[15-[3-(1,3-oxazol-2-yl)phenyl]-12,12-diphenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-oxazole;2-[3-[4-[4-[3-(1,3-oxazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-oxazole?
The canonical SMILES for 2-[3-[12,12-dimethyl-15-[3-(1,3-oxazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-oxazole;2-[3-[12,12-dimethyl-15-[3-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[3-[12,12-diphenyl-15-[3-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[3-[15-[3-(1,3-oxazol-2-yl)phenyl]-12,12-diphenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-oxazole;2-[3-[4-[4-[3-(1,3-oxazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-oxazole is CC1(C)c2cc(-c3cccc(-c4ncco4)c3)c3ccccc3c2-c2c1cc(-c1cccc(-c3ncco3)c1)c1ccccc21.CC1(C)c2cc(-c3cccc(-c4nccs4)c3)c3ccccc3c2-c2c1cc(-c1cccc(-c3nccs3)c1)c1ccccc21.c1cc(-c2ncco2)cc(-c2ccc(-c3ccc(-c4cccc(-c5ncco5)c4)c4ccccc34)c3ccccc23)c1.c1ccc(C2(c3ccccc3)c3cc(-c4cccc(-c5ncco5)c4)c4ccccc4c3-c3c2cc(-c2cccc(-c4ncco4)c2)c2ccccc32)cc1.c1ccc(C2(c3ccccc3)c3cc(-c4cccc(-c5nccs5)c4)c4ccccc4c3-c3c2cc(-c2cccc(-c4nccs4)c2)c2ccccc32)cc1.
What is the InChIKey of 2-[3-[12,12-dimethyl-15-[3-(1,3-oxazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-oxazole;2-[3-[12,12-dimethyl-15-[3-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[3-[12,12-diphenyl-15-[3-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[3-[15-[3-(1,3-oxazol-2-yl)phenyl]-12,12-diphenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-oxazole;2-[3-[4-[4-[3-(1,3-oxazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-oxazole?
The InChIKey is BWLCWQIEDNYCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2O2.C51H32N2S2.C41H28N2O2.C41H28N2S2.C38H24N2O2/c2*1-3-17-37(18-4-1)51(38-19-5-2-6-20-38)45-31-43(33-13-11-15-35(29-33)49-52-25-27-54-49)39-21-7-9-23-41(39)47(45)48-42-24-10-8-22-40(42)44(32-46(48)51)34-14-12-16-36(30-34)50-53-26-28-55-50;2*1-41(2)35-23-33(25-9-7-11-27(21-25)39-42-17-19-44-39)29-13-3-5-15-31(29)37(35)38-32-16-6-4-14-30(32)34(24-36(38)41)26-10-8-12-28(22-26)40-43-18-20-45-40;1-3-13-33-31(11-1)29(25-7-5-9-27(23-25)37-39-19-21-41-37)15-17-35(33)36-18-16-30(32-12-2-4-14-34(32)36)26-8-6-10-28(24-26)38-40-20-22-42-38/h2*1-32H;2*3-24H,1-2H3;1-24H.
What are the key properties of 2-[3-[12,12-dimethyl-15-[3-(1,3-oxazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-oxazole;2-[3-[12,12-dimethyl-15-[3-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[3-[12,12-diphenyl-15-[3-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[3-[15-[3-(1,3-oxazol-2-yl)phenyl]-12,12-diphenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-oxazole;2-[3-[4-[4-[3-(1,3-oxazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-oxazole?
2-[3-[12,12-dimethyl-15-[3-(1,3-oxazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-oxazole;2-[3-[12,12-dimethyl-15-[3-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[3-[12,12-diphenyl-15-[3-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[3-[15-[3-(1,3-oxazol-2-yl)phenyl]-12,12-diphenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-oxazole;2-[3-[4-[4-[3-(1,3-oxazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-oxazole has a molecular weight of 3175.93 g/mol, XLogP of 60.06, 25 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[12,12-dimethyl-15-[3-(1,3-oxazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-oxazole;2-[3-[12,12-dimethyl-15-[3-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[3-[12,12-diphenyl-15-[3-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[3-[15-[3-(1,3-oxazol-2-yl)phenyl]-12,12-diphenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-oxazole;2-[3-[4-[4-[3-(1,3-oxazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-oxazole is sourced from PubChem (CID 157483575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).