About 21-[6-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-2-yl]-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-33-oxaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.020,29.021,26]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19(32),20(29),21,23,25,27,30-hexadecaene;21-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-14-thiaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;21-(7-phenylnaphthalen-2-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;14-phenyl-21-(7-phenyltriphenylen-2-yl)-14-azaheptacyclo[15.12.0.03,15.04,13.06,11.018,23.024,29]nonacosa-1,3(15),4,6,8,10,12,16,18(23),19,21,24,26,28-tetradecaene
21-[6-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-2-yl]-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-33-oxaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.020,29.021,26]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19(32),20(29),21,23,25,27,30-hexadecaene;21-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-14-thiaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;21-(7-phenylnaphthalen-2-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;14-phenyl-21-(7-phenyltriphenylen-2-yl)-14-azaheptacyclo[15.12.0.03,15.04,13.06,11.018,23.024,29]nonacosa-1,3(15),4,6,8,10,12,16,18(23),19,21,24,26,28-tetradecaene (PubChem CID 165042558) has the molecular formula C288H169NO3S
and a molecular weight of 3723.59 g/mol. Its IUPAC name is 21-[6-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-2-yl]-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-33-oxaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.020,29.021,26]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19(32),20(29),21,23,25,27,30-hexadecaene;21-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-14-thiaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;21-(7-phenylnaphthalen-2-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;14-phenyl-21-(7-phenyltriphenylen-2-yl)-14-azaheptacyclo[15.12.0.03,15.04,13.06,11.018,23.024,29]nonacosa-1,3(15),4,6,8,10,12,16,18(23),19,21,24,26,28-tetradecaene.
Frequently Asked Questions
What is the IUPAC name of 21-[6-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-2-yl]-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-33-oxaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.020,29.021,26]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19(32),20(29),21,23,25,27,30-hexadecaene;21-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-14-thiaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;21-(7-phenylnaphthalen-2-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;14-phenyl-21-(7-phenyltriphenylen-2-yl)-14-azaheptacyclo[15.12.0.03,15.04,13.06,11.018,23.024,29]nonacosa-1,3(15),4,6,8,10,12,16,18(23),19,21,24,26,28-tetradecaene?
The IUPAC name of 21-[6-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-2-yl]-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-33-oxaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.020,29.021,26]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19(32),20(29),21,23,25,27,30-hexadecaene;21-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-14-thiaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;21-(7-phenylnaphthalen-2-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;14-phenyl-21-(7-phenyltriphenylen-2-yl)-14-azaheptacyclo[15.12.0.03,15.04,13.06,11.018,23.024,29]nonacosa-1,3(15),4,6,8,10,12,16,18(23),19,21,24,26,28-tetradecaene (CID 165042558) is 21-[6-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-2-yl]-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-33-oxaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.020,29.021,26]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19(32),20(29),21,23,25,27,30-hexadecaene;21-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-14-thiaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;21-(7-phenylnaphthalen-2-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;14-phenyl-21-(7-phenyltriphenylen-2-yl)-14-azaheptacyclo[15.12.0.03,15.04,13.06,11.018,23.024,29]nonacosa-1,3(15),4,6,8,10,12,16,18(23),19,21,24,26,28-tetradecaene.
What is the SMILES notation for 21-[6-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-2-yl]-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-33-oxaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.020,29.021,26]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19(32),20(29),21,23,25,27,30-hexadecaene;21-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-14-thiaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;21-(7-phenylnaphthalen-2-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;14-phenyl-21-(7-phenyltriphenylen-2-yl)-14-azaheptacyclo[15.12.0.03,15.04,13.06,11.018,23.024,29]nonacosa-1,3(15),4,6,8,10,12,16,18(23),19,21,24,26,28-tetradecaene?
The canonical SMILES for 21-[6-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-2-yl]-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-33-oxaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.020,29.021,26]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19(32),20(29),21,23,25,27,30-hexadecaene;21-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-14-thiaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;21-(7-phenylnaphthalen-2-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;14-phenyl-21-(7-phenyltriphenylen-2-yl)-14-azaheptacyclo[15.12.0.03,15.04,13.06,11.018,23.024,29]nonacosa-1,3(15),4,6,8,10,12,16,18(23),19,21,24,26,28-tetradecaene is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)c4ccccc4c4cc6c(cc54)sc4ccc5ccccc5c46)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2ccc3c4ccc(-c5ccc6c(c5)c5ccccc5c5cc7c8cc9ccccc9cc8n(-c8ccccc8)c7cc65)cc4c4ccccc4c3c2)cc1.c1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5ccc6c(c5)c5ccccc5c5cc7c(cc65)oc5ccc6ccc8ccccc8c6c57)c5ccccc45)ccc3c2)cc1.c1ccc(-c2ccc3ccc(-c4ccc5c(c4)c4ccccc4c4cc6c(cc54)oc4ccc5ccccc5c46)cc3c2)cc1.c1ccc2c(c1)ccc1cc(-c3c4ccccc4c(-c4ccc5cc(-c6ccc7c(c6)c6ccccc6c6cc8c(cc76)oc6ccc7ccccc7c68)ccc5c4)c4ccccc34)ccc12.
What is the InChIKey of 21-[6-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-2-yl]-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-33-oxaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.020,29.021,26]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19(32),20(29),21,23,25,27,30-hexadecaene;21-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-14-thiaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;21-(7-phenylnaphthalen-2-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;14-phenyl-21-(7-phenyltriphenylen-2-yl)-14-azaheptacyclo[15.12.0.03,15.04,13.06,11.018,23.024,29]nonacosa-1,3(15),4,6,8,10,12,16,18(23),19,21,24,26,28-tetradecaene?
The InChIKey is OJBYMVAHHGEBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H38O.C62H36O.C58H35N.C58H34S.C44H26O/c1-3-13-48-39(11-1)21-25-45-35-47(28-30-49(45)48)65-56-19-9-7-17-54(56)64(55-18-8-10-20-57(55)65)46-26-24-41-33-42(22-23-43(41)34-46)44-27-31-53-58(36-44)51-15-5-6-16-52(51)59-37-61-63(38-60(53)59)67-62-32-29-40-12-2-4-14-50(40)66(61)62;1-2-12-37(13-3-1)40-24-25-42-33-43(27-26-41(42)32-40)59-49-18-8-10-20-51(49)60(52-21-11-9-19-50(52)59)44-28-30-48-53(34-44)46-16-6-7-17-47(46)54-35-56-58(36-55(48)54)63-57-31-29-39-23-22-38-14-4-5-15-45(38)61(39)62(56)57;1-3-13-36(14-4-1)39-23-26-47-48-27-24-40(30-51(48)44-20-10-9-19-43(44)50(47)29-39)41-25-28-49-52(31-41)45-21-11-12-22-46(45)53-34-56-55-32-37-15-7-8-16-38(37)33-57(55)59(58(56)35-54(49)53)42-17-5-2-6-18-42;1-2-14-35(15-3-1)38-29-30-49(41-19-7-6-18-40(38)41)57-47-24-12-10-22-45(47)56(46-23-11-13-25-48(46)57)37-26-28-44-50(32-37)42-20-8-9-21-43(42)51-33-53-55(34-52(44)51)59-54-31-27-36-16-4-5-17-39(36)58(53)54;1-2-8-27(9-3-1)30-16-14-28-15-17-31(23-33(28)22-30)32-18-20-37-38(24-32)35-12-6-7-13-36(35)39-25-41-43(26-40(37)39)45-42-21-19-29-10-4-5-11-34(29)44(41)42/h1-38H;1-36H;1-35H;1-34H;1-26H.
What are the key properties of 21-[6-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-2-yl]-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-33-oxaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.020,29.021,26]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19(32),20(29),21,23,25,27,30-hexadecaene;21-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-14-thiaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;21-(7-phenylnaphthalen-2-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;14-phenyl-21-(7-phenyltriphenylen-2-yl)-14-azaheptacyclo[15.12.0.03,15.04,13.06,11.018,23.024,29]nonacosa-1,3(15),4,6,8,10,12,16,18(23),19,21,24,26,28-tetradecaene?
21-[6-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-2-yl]-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-33-oxaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.020,29.021,26]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19(32),20(29),21,23,25,27,30-hexadecaene;21-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-14-thiaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;21-(7-phenylnaphthalen-2-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;14-phenyl-21-(7-phenyltriphenylen-2-yl)-14-azaheptacyclo[15.12.0.03,15.04,13.06,11.018,23.024,29]nonacosa-1,3(15),4,6,8,10,12,16,18(23),19,21,24,26,28-tetradecaene has a molecular weight of 3723.59 g/mol, XLogP of 82.78, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 21-[6-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-2-yl]-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-33-oxaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.020,29.021,26]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19(32),20(29),21,23,25,27,30-hexadecaene;21-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-14-thiaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;21-(7-phenylnaphthalen-2-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;14-phenyl-21-(7-phenyltriphenylen-2-yl)-14-azaheptacyclo[15.12.0.03,15.04,13.06,11.018,23.024,29]nonacosa-1,3(15),4,6,8,10,12,16,18(23),19,21,24,26,28-tetradecaene is sourced from PubChem (CID 165042558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).