About 4-anthracen-9-yl-6-[11-(6-anthracen-9-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine;4-dibenzofuran-3-yl-6-[11-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine;4-dibenzofuran-4-yl-6-[11-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine;4-phenanthren-9-yl-6-[11-(6-phenanthren-9-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine
4-anthracen-9-yl-6-[11-(6-anthracen-9-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine;4-dibenzofuran-3-yl-6-[11-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine;4-dibenzofuran-4-yl-6-[11-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine;4-phenanthren-9-yl-6-[11-(6-phenanthren-9-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine (PubChem CID 167690306) has the molecular formula C264H160N16O4
and a molecular weight of 3620.29 g/mol. Its IUPAC name is 4-anthracen-9-yl-6-[11-(6-anthracen-9-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine;4-dibenzofuran-3-yl-6-[11-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine;4-dibenzofuran-4-yl-6-[11-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine;4-phenanthren-9-yl-6-[11-(6-phenanthren-9-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine.
Frequently Asked Questions
What is the IUPAC name of 4-anthracen-9-yl-6-[11-(6-anthracen-9-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine;4-dibenzofuran-3-yl-6-[11-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine;4-dibenzofuran-4-yl-6-[11-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine;4-phenanthren-9-yl-6-[11-(6-phenanthren-9-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine?
The IUPAC name of 4-anthracen-9-yl-6-[11-(6-anthracen-9-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine;4-dibenzofuran-3-yl-6-[11-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine;4-dibenzofuran-4-yl-6-[11-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine;4-phenanthren-9-yl-6-[11-(6-phenanthren-9-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine (CID 167690306) is 4-anthracen-9-yl-6-[11-(6-anthracen-9-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine;4-dibenzofuran-3-yl-6-[11-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine;4-dibenzofuran-4-yl-6-[11-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine;4-phenanthren-9-yl-6-[11-(6-phenanthren-9-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine.
What is the SMILES notation for 4-anthracen-9-yl-6-[11-(6-anthracen-9-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine;4-dibenzofuran-3-yl-6-[11-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine;4-dibenzofuran-4-yl-6-[11-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine;4-phenanthren-9-yl-6-[11-(6-phenanthren-9-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine?
The canonical SMILES for 4-anthracen-9-yl-6-[11-(6-anthracen-9-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine;4-dibenzofuran-3-yl-6-[11-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine;4-dibenzofuran-4-yl-6-[11-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine;4-phenanthren-9-yl-6-[11-(6-phenanthren-9-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine is c1ccc(-c2nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5cc(-c6c7ccccc7cc7ccccc67)nc(-c6ccccc6)n5)ccc43)cc(-c3c4ccccc4cc4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5cc(-c6cc7ccccc7c7ccccc67)nc(-c6ccccc6)n5)ccc43)cc(-c3cc4ccccc4c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5cc(-c6ccc7c(c6)oc6ccccc67)nc(-c6ccccc6)n5)ccc43)cc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5cc(-c6cccc7c6oc6ccccc67)nc(-c6ccccc6)n5)ccc43)cc(-c3cccc4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 4-anthracen-9-yl-6-[11-(6-anthracen-9-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine;4-dibenzofuran-3-yl-6-[11-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine;4-dibenzofuran-4-yl-6-[11-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine;4-phenanthren-9-yl-6-[11-(6-phenanthren-9-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine?
The InChIKey is WVILCWKUYXJPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C68H42N4.2C64H38N4O2/c1-3-17-41(18-4-1)67-69-59(39-61(71-67)65-49-25-11-7-21-43(49)35-44-22-8-12-26-50(44)65)47-31-33-55-57(37-47)63-53-29-15-16-30-54(53)64(55)58-38-48(32-34-56(58)63)60-40-62(72-68(70-60)42-19-5-2-6-20-42)66-51-27-13-9-23-45(51)36-46-24-10-14-28-52(46)66;1-3-17-41(18-4-1)67-69-61(39-63(71-67)57-35-43-21-7-9-23-47(43)49-25-11-13-27-51(49)57)45-31-33-55-59(37-45)65-53-29-15-16-30-54(53)66(55)60-38-46(32-34-56(60)65)62-40-64(72-68(70-62)42-19-5-2-6-20-42)58-36-44-22-8-10-24-48(44)50-26-12-14-28-52(50)58;1-3-15-37(16-4-1)63-65-53(35-55(67-63)49-25-13-23-47-41-19-9-11-27-57(41)69-61(47)49)39-29-31-45-51(33-39)59-43-21-7-8-22-44(43)60(45)52-34-40(30-32-46(52)59)54-36-56(68-64(66-54)38-17-5-2-6-18-38)50-26-14-24-48-42-20-10-12-28-58(42)70-62(48)50;1-3-13-37(14-4-1)63-65-53(35-55(67-63)41-23-27-45-43-17-9-11-21-57(43)69-59(45)33-41)39-25-29-49-51(31-39)61-47-19-7-8-20-48(47)62(49)52-32-40(26-30-50(52)61)54-36-56(68-64(66-54)38-15-5-2-6-16-38)42-24-28-46-44-18-10-12-22-58(44)70-60(46)34-42/h1-40,63-64H;1-40,65-66H;1-36,59-60H;1-36,61-62H.
What are the key properties of 4-anthracen-9-yl-6-[11-(6-anthracen-9-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine;4-dibenzofuran-3-yl-6-[11-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine;4-dibenzofuran-4-yl-6-[11-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine;4-phenanthren-9-yl-6-[11-(6-phenanthren-9-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine?
4-anthracen-9-yl-6-[11-(6-anthracen-9-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine;4-dibenzofuran-3-yl-6-[11-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine;4-dibenzofuran-4-yl-6-[11-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine;4-phenanthren-9-yl-6-[11-(6-phenanthren-9-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine has a molecular weight of 3620.29 g/mol, XLogP of 65.85, 24 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anthracen-9-yl-6-[11-(6-anthracen-9-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine;4-dibenzofuran-3-yl-6-[11-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine;4-dibenzofuran-4-yl-6-[11-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine;4-phenanthren-9-yl-6-[11-(6-phenanthren-9-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine is sourced from PubChem (CID 167690306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).