About 7,16-bis(3-naphthalen-2-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-bis(4-naphthalen-2-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-di(chrysen-5-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-di(fluoranthen-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7-naphthalen-2-yl-16-(3-phenanthren-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7-(3-phenanthren-9-ylphenyl)-16-(6-phenylnaphthalen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene
7,16-bis(3-naphthalen-2-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-bis(4-naphthalen-2-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-di(chrysen-5-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-di(fluoranthen-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7-naphthalen-2-yl-16-(3-phenanthren-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7-(3-phenanthren-9-ylphenyl)-16-(6-phenylnaphthalen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene (PubChem CID 159209602) has the molecular formula C306H176O12
and a molecular weight of 4044.76 g/mol. Its IUPAC name is 7,16-bis(3-naphthalen-2-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-bis(4-naphthalen-2-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-di(chrysen-5-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-di(fluoranthen-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7-naphthalen-2-yl-16-(3-phenanthren-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7-(3-phenanthren-9-ylphenyl)-16-(6-phenylnaphthalen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene.
Frequently Asked Questions
What is the IUPAC name of 7,16-bis(3-naphthalen-2-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-bis(4-naphthalen-2-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-di(chrysen-5-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-di(fluoranthen-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7-naphthalen-2-yl-16-(3-phenanthren-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7-(3-phenanthren-9-ylphenyl)-16-(6-phenylnaphthalen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene?
The IUPAC name of 7,16-bis(3-naphthalen-2-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-bis(4-naphthalen-2-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-di(chrysen-5-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-di(fluoranthen-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7-naphthalen-2-yl-16-(3-phenanthren-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7-(3-phenanthren-9-ylphenyl)-16-(6-phenylnaphthalen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene (CID 159209602) is 7,16-bis(3-naphthalen-2-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-bis(4-naphthalen-2-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-di(chrysen-5-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-di(fluoranthen-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7-naphthalen-2-yl-16-(3-phenanthren-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7-(3-phenanthren-9-ylphenyl)-16-(6-phenylnaphthalen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene.
What is the SMILES notation for 7,16-bis(3-naphthalen-2-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-bis(4-naphthalen-2-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-di(chrysen-5-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-di(fluoranthen-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7-naphthalen-2-yl-16-(3-phenanthren-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7-(3-phenanthren-9-ylphenyl)-16-(6-phenylnaphthalen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene?
The canonical SMILES for 7,16-bis(3-naphthalen-2-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-bis(4-naphthalen-2-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-di(chrysen-5-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-di(fluoranthen-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7-naphthalen-2-yl-16-(3-phenanthren-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7-(3-phenanthren-9-ylphenyl)-16-(6-phenylnaphthalen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene is c1cc(-c2ccc3ccccc3c2)cc(-c2ccc3oc4c(ccc5c6cc(-c7cccc(-c8ccc9ccccc9c8)c7)ccc6oc54)c3c2)c1.c1cc(-c2ccc3oc4c(ccc5c6cc(-c7ccc8ccccc8c7)ccc6oc54)c3c2)cc(-c2cc3ccccc3c3ccccc23)c1.c1ccc(-c2ccc3cc(-c4ccc5oc6c(ccc7c8cc(-c9cccc(-c%10cc%11ccccc%11c%11ccccc%10%11)c9)ccc8oc76)c5c4)ccc3c2)cc1.c1ccc2c(c1)-c1cccc3c(-c4ccc5oc6c(ccc7c8cc(-c9ccc%10c%11c(cccc9%11)-c9ccccc9-%10)ccc8oc76)c5c4)ccc-2c13.c1ccc2c(c1)cc(-c1ccc3oc4c(ccc5c6cc(-c7cc8ccccc8c8ccc9ccccc9c78)ccc6oc54)c3c1)c1c3ccccc3ccc21.c1ccc2cc(-c3ccc(-c4ccc5oc6c(ccc7c8cc(-c9ccc(-c%10ccc%11ccccc%11c%10)cc9)ccc8oc76)c5c4)cc3)ccc2c1.
What is the InChIKey of 7,16-bis(3-naphthalen-2-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-bis(4-naphthalen-2-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-di(chrysen-5-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-di(fluoranthen-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7-naphthalen-2-yl-16-(3-phenanthren-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7-(3-phenanthren-9-ylphenyl)-16-(6-phenylnaphthalen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene?
The InChIKey is KQIBJAHWWXWZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H30O2.C54H32O2.C50H26O2.2C50H30O2.C48H28O2/c1-7-15-39-31(9-1)17-21-41-37-13-5-3-11-33(37)27-45(51(39)41)35-19-25-49-47(29-35)43-23-24-44-48-30-36(20-26-50(48)56-54(44)53(43)55-49)46-28-34-12-4-6-14-38(34)42-22-18-32-10-2-8-16-40(32)52(42)46;1-2-9-33(10-3-1)35-17-18-37-28-38(20-19-36(37)27-35)40-22-26-52-50(31-40)47-24-23-46-49-30-39(21-25-51(49)55-53(46)54(47)56-52)34-12-8-13-41(29-34)48-32-42-11-4-5-14-43(42)44-15-6-7-16-45(44)48;1-3-9-33-31(7-1)37-13-5-11-35-29(17-19-39(33)47(35)37)27-15-23-45-43(25-27)41-21-22-42-44-26-28(16-24-46(44)52-50(42)49(41)51-45)30-18-20-40-34-10-4-2-8-32(34)38-14-6-12-36(30)48(38)40;1-3-9-33-25-39(17-15-31(33)7-1)35-11-5-13-37(27-35)41-19-23-47-45(29-41)43-21-22-44-46-30-42(20-24-48(46)52-50(44)49(43)51-47)38-14-6-12-36(28-38)40-18-16-32-8-2-4-10-34(32)26-40;1-3-7-37-27-39(19-17-31(37)5-1)33-9-13-35(14-10-33)41-21-25-47-45(29-41)43-23-24-44-46-30-42(22-26-48(46)52-50(44)49(43)51-47)36-15-11-34(12-16-36)40-20-18-32-6-2-4-8-38(32)28-40;1-2-9-30-24-32(17-16-29(30)8-1)34-19-23-46-44(27-34)41-21-20-40-43-26-33(18-22-45(43)49-47(40)48(41)50-46)31-11-7-12-35(25-31)42-28-36-10-3-4-13-37(36)38-14-5-6-15-39(38)42/h1-30H;1-32H;1-26H;2*1-30H;1-28H.
What are the key properties of 7,16-bis(3-naphthalen-2-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-bis(4-naphthalen-2-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-di(chrysen-5-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-di(fluoranthen-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7-naphthalen-2-yl-16-(3-phenanthren-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7-(3-phenanthren-9-ylphenyl)-16-(6-phenylnaphthalen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene?
7,16-bis(3-naphthalen-2-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-bis(4-naphthalen-2-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-di(chrysen-5-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-di(fluoranthen-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7-naphthalen-2-yl-16-(3-phenanthren-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7-(3-phenanthren-9-ylphenyl)-16-(6-phenylnaphthalen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene has a molecular weight of 4044.76 g/mol, XLogP of 88.64, 19 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7,16-bis(3-naphthalen-2-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-bis(4-naphthalen-2-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-di(chrysen-5-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-di(fluoranthen-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7-naphthalen-2-yl-16-(3-phenanthren-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7-(3-phenanthren-9-ylphenyl)-16-(6-phenylnaphthalen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene is sourced from PubChem (CID 159209602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).