About 7-[5-(2,2,3a,8b-tetramethyl-4-phenyl-1,3-dihydrocyclopenta[b]indol-7-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-2,2,3a,8b-tetramethyl-4-phenyl-1,3-dihydrocyclopenta[b]indole;7-[5-(3,3a-dimethyl-4-phenyl-1,2,3,8b-tetrahydrocyclopenta[b]indol-7-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-3,3a-dimethyl-4-phenyl-1,2,3,8b-tetrahydrocyclopenta[b]indole;7-[5-(3,3,3a-trimethyl-4-phenyl-2,8b-dihydro-1H-cyclopenta[b]indol-7-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-3,3,3a-trimethyl-4-phenyl-2,8b-dihydro-1H-cyclopenta[b]indole;3-tert-butyl-6-[5-(6-tert-butyl-8a-methyl-9-phenyl-5,6,7,8-tetrahydro-4bH-carbazol-3-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-9a-methyl-9-phenyl-2,3,4,4a-tetrahydro-1H-carbazole
7-[5-(2,2,3a,8b-tetramethyl-4-phenyl-1,3-dihydrocyclopenta[b]indol-7-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-2,2,3a,8b-tetramethyl-4-phenyl-1,3-dihydrocyclopenta[b]indole;7-[5-(3,3a-dimethyl-4-phenyl-1,2,3,8b-tetrahydrocyclopenta[b]indol-7-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-3,3a-dimethyl-4-phenyl-1,2,3,8b-tetrahydrocyclopenta[b]indole;7-[5-(3,3,3a-trimethyl-4-phenyl-2,8b-dihydro-1H-cyclopenta[b]indol-7-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-3,3,3a-trimethyl-4-phenyl-2,8b-dihydro-1H-cyclopenta[b]indole;3-tert-butyl-6-[5-(6-tert-butyl-8a-methyl-9-phenyl-5,6,7,8-tetrahydro-4bH-carbazol-3-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-9a-methyl-9-phenyl-2,3,4,4a-tetrahydro-1H-carbazole (PubChem CID 161288613) has the molecular formula C258H252N8
and a molecular weight of 3464.91 g/mol. Its IUPAC name is 7-[5-(2,2,3a,8b-tetramethyl-4-phenyl-1,3-dihydrocyclopenta[b]indol-7-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-2,2,3a,8b-tetramethyl-4-phenyl-1,3-dihydrocyclopenta[b]indole;7-[5-(3,3a-dimethyl-4-phenyl-1,2,3,8b-tetrahydrocyclopenta[b]indol-7-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-3,3a-dimethyl-4-phenyl-1,2,3,8b-tetrahydrocyclopenta[b]indole;7-[5-(3,3,3a-trimethyl-4-phenyl-2,8b-dihydro-1H-cyclopenta[b]indol-7-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-3,3,3a-trimethyl-4-phenyl-2,8b-dihydro-1H-cyclopenta[b]indole;3-tert-butyl-6-[5-(6-tert-butyl-8a-methyl-9-phenyl-5,6,7,8-tetrahydro-4bH-carbazol-3-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-9a-methyl-9-phenyl-2,3,4,4a-tetrahydro-1H-carbazole.
Frequently Asked Questions
What is the IUPAC name of 7-[5-(2,2,3a,8b-tetramethyl-4-phenyl-1,3-dihydrocyclopenta[b]indol-7-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-2,2,3a,8b-tetramethyl-4-phenyl-1,3-dihydrocyclopenta[b]indole;7-[5-(3,3a-dimethyl-4-phenyl-1,2,3,8b-tetrahydrocyclopenta[b]indol-7-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-3,3a-dimethyl-4-phenyl-1,2,3,8b-tetrahydrocyclopenta[b]indole;7-[5-(3,3,3a-trimethyl-4-phenyl-2,8b-dihydro-1H-cyclopenta[b]indol-7-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-3,3,3a-trimethyl-4-phenyl-2,8b-dihydro-1H-cyclopenta[b]indole;3-tert-butyl-6-[5-(6-tert-butyl-8a-methyl-9-phenyl-5,6,7,8-tetrahydro-4bH-carbazol-3-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-9a-methyl-9-phenyl-2,3,4,4a-tetrahydro-1H-carbazole?
The IUPAC name of 7-[5-(2,2,3a,8b-tetramethyl-4-phenyl-1,3-dihydrocyclopenta[b]indol-7-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-2,2,3a,8b-tetramethyl-4-phenyl-1,3-dihydrocyclopenta[b]indole;7-[5-(3,3a-dimethyl-4-phenyl-1,2,3,8b-tetrahydrocyclopenta[b]indol-7-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-3,3a-dimethyl-4-phenyl-1,2,3,8b-tetrahydrocyclopenta[b]indole;7-[5-(3,3,3a-trimethyl-4-phenyl-2,8b-dihydro-1H-cyclopenta[b]indol-7-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-3,3,3a-trimethyl-4-phenyl-2,8b-dihydro-1H-cyclopenta[b]indole;3-tert-butyl-6-[5-(6-tert-butyl-8a-methyl-9-phenyl-5,6,7,8-tetrahydro-4bH-carbazol-3-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-9a-methyl-9-phenyl-2,3,4,4a-tetrahydro-1H-carbazole (CID 161288613) is 7-[5-(2,2,3a,8b-tetramethyl-4-phenyl-1,3-dihydrocyclopenta[b]indol-7-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-2,2,3a,8b-tetramethyl-4-phenyl-1,3-dihydrocyclopenta[b]indole;7-[5-(3,3a-dimethyl-4-phenyl-1,2,3,8b-tetrahydrocyclopenta[b]indol-7-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-3,3a-dimethyl-4-phenyl-1,2,3,8b-tetrahydrocyclopenta[b]indole;7-[5-(3,3,3a-trimethyl-4-phenyl-2,8b-dihydro-1H-cyclopenta[b]indol-7-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-3,3,3a-trimethyl-4-phenyl-2,8b-dihydro-1H-cyclopenta[b]indole;3-tert-butyl-6-[5-(6-tert-butyl-8a-methyl-9-phenyl-5,6,7,8-tetrahydro-4bH-carbazol-3-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-9a-methyl-9-phenyl-2,3,4,4a-tetrahydro-1H-carbazole.
What is the SMILES notation for 7-[5-(2,2,3a,8b-tetramethyl-4-phenyl-1,3-dihydrocyclopenta[b]indol-7-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-2,2,3a,8b-tetramethyl-4-phenyl-1,3-dihydrocyclopenta[b]indole;7-[5-(3,3a-dimethyl-4-phenyl-1,2,3,8b-tetrahydrocyclopenta[b]indol-7-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-3,3a-dimethyl-4-phenyl-1,2,3,8b-tetrahydrocyclopenta[b]indole;7-[5-(3,3,3a-trimethyl-4-phenyl-2,8b-dihydro-1H-cyclopenta[b]indol-7-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-3,3,3a-trimethyl-4-phenyl-2,8b-dihydro-1H-cyclopenta[b]indole;3-tert-butyl-6-[5-(6-tert-butyl-8a-methyl-9-phenyl-5,6,7,8-tetrahydro-4bH-carbazol-3-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-9a-methyl-9-phenyl-2,3,4,4a-tetrahydro-1H-carbazole?
The canonical SMILES for 7-[5-(2,2,3a,8b-tetramethyl-4-phenyl-1,3-dihydrocyclopenta[b]indol-7-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-2,2,3a,8b-tetramethyl-4-phenyl-1,3-dihydrocyclopenta[b]indole;7-[5-(3,3a-dimethyl-4-phenyl-1,2,3,8b-tetrahydrocyclopenta[b]indol-7-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-3,3a-dimethyl-4-phenyl-1,2,3,8b-tetrahydrocyclopenta[b]indole;7-[5-(3,3,3a-trimethyl-4-phenyl-2,8b-dihydro-1H-cyclopenta[b]indol-7-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-3,3,3a-trimethyl-4-phenyl-2,8b-dihydro-1H-cyclopenta[b]indole;3-tert-butyl-6-[5-(6-tert-butyl-8a-methyl-9-phenyl-5,6,7,8-tetrahydro-4bH-carbazol-3-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-9a-methyl-9-phenyl-2,3,4,4a-tetrahydro-1H-carbazole is CC1(C)CC2(C)c3cc(-c4ccc5c(c4)C(C)(C)c4c-5c5ccccc5c5cc(-c6ccc7c(c6)C6(C)CC(C)(C)CC6(C)N7c6ccccc6)ccc45)ccc3N(c3ccccc3)C2(C)C1.CC1(C)c2cc(-c3ccc4c(c3)C3CC(C(C)(C)C)CCC3(C)N4c3ccccc3)ccc2-c2c1c1ccc(-c3ccc4c(c3)C3CC(C(C)(C)C)CCC3(C)N4c3ccccc3)cc1c1ccccc21.CC1(C)c2cc(-c3ccc4c(c3)C3CCC(C)(C)C3(C)N4c3ccccc3)ccc2-c2c1c1ccc(-c3ccc4c(c3)C3CCC(C)(C)C3(C)N4c3ccccc3)cc1c1ccccc21.CC1CCC2c3cc(-c4ccc5c(c4)C(C)(C)c4c-5c5ccccc5c5cc(-c6ccc7c(c6)C6CCC(C)C6(C)N7c6ccccc6)ccc45)ccc3N(c3ccccc3)C12C.
What is the InChIKey of 7-[5-(2,2,3a,8b-tetramethyl-4-phenyl-1,3-dihydrocyclopenta[b]indol-7-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-2,2,3a,8b-tetramethyl-4-phenyl-1,3-dihydrocyclopenta[b]indole;7-[5-(3,3a-dimethyl-4-phenyl-1,2,3,8b-tetrahydrocyclopenta[b]indol-7-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-3,3a-dimethyl-4-phenyl-1,2,3,8b-tetrahydrocyclopenta[b]indole;7-[5-(3,3,3a-trimethyl-4-phenyl-2,8b-dihydro-1H-cyclopenta[b]indol-7-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-3,3,3a-trimethyl-4-phenyl-2,8b-dihydro-1H-cyclopenta[b]indole;3-tert-butyl-6-[5-(6-tert-butyl-8a-methyl-9-phenyl-5,6,7,8-tetrahydro-4bH-carbazol-3-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-9a-methyl-9-phenyl-2,3,4,4a-tetrahydro-1H-carbazole?
The InChIKey is VGAZGOFKVJBFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H72N2.C65H64N2.C63H60N2.C61H56N2/c1-65(2,3)47-33-35-68(9)59(41-47)56-38-44(27-31-61(56)70(68)49-19-13-11-14-20-49)43-25-29-53-55(37-43)51-23-17-18-24-52(51)63-54-30-26-46(40-58(54)67(7,8)64(53)63)45-28-32-62-57(39-45)60-42-48(66(4,5)6)34-36-69(60,10)71(62)50-21-15-12-16-22-50;1-59(2)37-62(7)53-35-43(27-31-55(53)66(64(62,9)39-59)45-19-13-11-14-20-45)41-25-29-49-51(33-41)47-23-17-18-24-48(47)57-50-30-26-42(34-52(50)61(5,6)58(49)57)44-28-32-56-54(36-44)63(8)38-60(3,4)40-65(63,10)67(56)46-21-15-12-16-22-46;1-59(2)33-31-52-50-36-40(25-29-55(50)64(62(52,59)7)43-17-11-9-12-18-43)39-23-27-47-49(35-39)45-21-15-16-22-46(45)57-48-28-24-42(38-54(48)61(5,6)58(47)57)41-26-30-56-51(37-41)53-32-34-60(3,4)63(53,8)65(56)44-19-13-10-14-20-44;1-37-21-29-52-50-34-40(25-31-55(50)62(60(37,52)5)43-15-9-7-10-16-43)39-23-27-47-49(33-39)45-19-13-14-20-46(45)57-48-28-24-42(36-54(48)59(3,4)58(47)57)41-26-32-56-51(35-41)53-30-22-38(2)61(53,6)63(56)44-17-11-8-12-18-44/h11-32,37-40,47-48,59-60H,33-36,41-42H2,1-10H3;11-36H,37-40H2,1-10H3;9-30,35-38,52-53H,31-34H2,1-8H3;7-20,23-28,31-38,52-53H,21-22,29-30H2,1-6H3.
What are the key properties of 7-[5-(2,2,3a,8b-tetramethyl-4-phenyl-1,3-dihydrocyclopenta[b]indol-7-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-2,2,3a,8b-tetramethyl-4-phenyl-1,3-dihydrocyclopenta[b]indole;7-[5-(3,3a-dimethyl-4-phenyl-1,2,3,8b-tetrahydrocyclopenta[b]indol-7-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-3,3a-dimethyl-4-phenyl-1,2,3,8b-tetrahydrocyclopenta[b]indole;7-[5-(3,3,3a-trimethyl-4-phenyl-2,8b-dihydro-1H-cyclopenta[b]indol-7-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-3,3,3a-trimethyl-4-phenyl-2,8b-dihydro-1H-cyclopenta[b]indole;3-tert-butyl-6-[5-(6-tert-butyl-8a-methyl-9-phenyl-5,6,7,8-tetrahydro-4bH-carbazol-3-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-9a-methyl-9-phenyl-2,3,4,4a-tetrahydro-1H-carbazole?
7-[5-(2,2,3a,8b-tetramethyl-4-phenyl-1,3-dihydrocyclopenta[b]indol-7-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-2,2,3a,8b-tetramethyl-4-phenyl-1,3-dihydrocyclopenta[b]indole;7-[5-(3,3a-dimethyl-4-phenyl-1,2,3,8b-tetrahydrocyclopenta[b]indol-7-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-3,3a-dimethyl-4-phenyl-1,2,3,8b-tetrahydrocyclopenta[b]indole;7-[5-(3,3,3a-trimethyl-4-phenyl-2,8b-dihydro-1H-cyclopenta[b]indol-7-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-3,3,3a-trimethyl-4-phenyl-2,8b-dihydro-1H-cyclopenta[b]indole;3-tert-butyl-6-[5-(6-tert-butyl-8a-methyl-9-phenyl-5,6,7,8-tetrahydro-4bH-carbazol-3-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-9a-methyl-9-phenyl-2,3,4,4a-tetrahydro-1H-carbazole has a molecular weight of 3464.91 g/mol, XLogP of 70.67, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(2,2,3a,8b-tetramethyl-4-phenyl-1,3-dihydrocyclopenta[b]indol-7-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-2,2,3a,8b-tetramethyl-4-phenyl-1,3-dihydrocyclopenta[b]indole;7-[5-(3,3a-dimethyl-4-phenyl-1,2,3,8b-tetrahydrocyclopenta[b]indol-7-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-3,3a-dimethyl-4-phenyl-1,2,3,8b-tetrahydrocyclopenta[b]indole;7-[5-(3,3,3a-trimethyl-4-phenyl-2,8b-dihydro-1H-cyclopenta[b]indol-7-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-3,3,3a-trimethyl-4-phenyl-2,8b-dihydro-1H-cyclopenta[b]indole;3-tert-butyl-6-[5-(6-tert-butyl-8a-methyl-9-phenyl-5,6,7,8-tetrahydro-4bH-carbazol-3-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-9a-methyl-9-phenyl-2,3,4,4a-tetrahydro-1H-carbazole is sourced from PubChem (CID 161288613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).