About 6-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-4a,9a-dimethyl-9-(4-methylphenyl)-1,2,3,4-tetrahydrocarbazole;6-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;[4-[6-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl]phenyl]-trimethylsilane;6-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-9-(4-fluorophenyl)-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;10-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-7-isocyano-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridine
6-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-4a,9a-dimethyl-9-(4-methylphenyl)-1,2,3,4-tetrahydrocarbazole;6-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;[4-[6-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl]phenyl]-trimethylsilane;6-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-9-(4-fluorophenyl)-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;10-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-7-isocyano-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridine (PubChem CID 158242774) has the molecular formula C265H221FN6Si
and a molecular weight of 3536.81 g/mol. Its IUPAC name is 6-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-4a,9a-dimethyl-9-(4-methylphenyl)-1,2,3,4-tetrahydrocarbazole;6-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;[4-[6-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl]phenyl]-trimethylsilane;6-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-9-(4-fluorophenyl)-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;10-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-7-isocyano-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridine.
Frequently Asked Questions
What is the IUPAC name of 6-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-4a,9a-dimethyl-9-(4-methylphenyl)-1,2,3,4-tetrahydrocarbazole;6-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;[4-[6-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl]phenyl]-trimethylsilane;6-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-9-(4-fluorophenyl)-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;10-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-7-isocyano-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridine?
The IUPAC name of 6-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-4a,9a-dimethyl-9-(4-methylphenyl)-1,2,3,4-tetrahydrocarbazole;6-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;[4-[6-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl]phenyl]-trimethylsilane;6-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-9-(4-fluorophenyl)-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;10-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-7-isocyano-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridine (CID 158242774) is 6-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-4a,9a-dimethyl-9-(4-methylphenyl)-1,2,3,4-tetrahydrocarbazole;6-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;[4-[6-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl]phenyl]-trimethylsilane;6-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-9-(4-fluorophenyl)-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;10-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-7-isocyano-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridine.
What is the SMILES notation for 6-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-4a,9a-dimethyl-9-(4-methylphenyl)-1,2,3,4-tetrahydrocarbazole;6-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;[4-[6-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl]phenyl]-trimethylsilane;6-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-9-(4-fluorophenyl)-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;10-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-7-isocyano-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridine?
The canonical SMILES for 6-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-4a,9a-dimethyl-9-(4-methylphenyl)-1,2,3,4-tetrahydrocarbazole;6-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;[4-[6-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl]phenyl]-trimethylsilane;6-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-9-(4-fluorophenyl)-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;10-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-7-isocyano-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridine is CC12CCCCC1(C)N(c1ccc(F)cc1)c1ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccc5c(ccc6ccccc65)c3-4)cc12.CC12CCCCC1(C)N(c1ccc([Si](C)(C)C)cc1)c1ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccc5c(ccc6ccccc65)c3-4)cc12.CC12CCCCC1(C)N(c1ccccc1)c1ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccc5c(ccc6ccccc65)c3-4)cc12.Cc1ccc(N2c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccc6c(ccc7ccccc76)c4-5)cc3C3(C)CCCCC23C)cc1.[C-]#[N+]c1ccc2c(c1)CC1(C)CCCCC1(C)N2c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccc3c(ccc4ccccc43)c1-2.
What is the InChIKey of 6-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-4a,9a-dimethyl-9-(4-methylphenyl)-1,2,3,4-tetrahydrocarbazole;6-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;[4-[6-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl]phenyl]-trimethylsilane;6-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-9-(4-fluorophenyl)-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;10-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-7-isocyano-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridine?
The InChIKey is GFTAWYXGXBPGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H51NSi.C54H45N.C53H42FN.C53H43N.C49H40N2/c1-54-34-14-15-35-55(54,2)57(43-25-27-44(28-26-43)58(3,4)5)52-33-24-40(37-51(52)54)39-23-30-48-50(36-39)56(41-17-8-6-9-18-41,42-19-10-7-11-20-42)49-32-31-46-45-21-13-12-16-38(45)22-29-47(46)53(48)49;1-36-20-25-42(26-21-36)55-50-31-24-39(35-49(50)52(2)32-12-13-33-53(52,55)3)38-23-28-46-48(34-38)54(40-15-6-4-7-16-40,41-17-8-5-9-18-41)47-30-29-44-43-19-11-10-14-37(43)22-27-45(44)51(46)47;1-51-31-11-12-32-52(51,2)55(41-24-22-40(54)23-25-41)49-30-21-37(34-48(49)51)36-20-27-45-47(33-36)53(38-14-5-3-6-15-38,39-16-7-4-8-17-39)46-29-28-43-42-18-10-9-13-35(42)19-26-44(43)50(45)46;1-51-32-14-15-33-52(51,2)54(41-21-10-5-11-22-41)49-31-26-38(35-48(49)51)37-25-28-45-47(34-37)53(39-17-6-3-7-18-39,40-19-8-4-9-20-40)46-30-29-43-42-23-13-12-16-36(42)24-27-44(43)50(45)46;1-47-28-12-13-29-48(47,2)51(45-27-21-37(50-3)30-34(45)32-47)38-22-24-42-44(31-38)49(35-15-6-4-7-16-35,36-17-8-5-9-18-36)43-26-25-40-39-19-11-10-14-33(39)20-23-41(40)46(42)43/h6-13,16-33,36-37H,14-15,34-35H2,1-5H3;4-11,14-31,34-35H,12-13,32-33H2,1-3H3;3-10,13-30,33-34H,11-12,31-32H2,1-2H3;3-13,16-31,34-35H,14-15,32-33H2,1-2H3;4-11,14-27,30-31H,12-13,28-29,32H2,1-2H3.
What are the key properties of 6-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-4a,9a-dimethyl-9-(4-methylphenyl)-1,2,3,4-tetrahydrocarbazole;6-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;[4-[6-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl]phenyl]-trimethylsilane;6-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-9-(4-fluorophenyl)-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;10-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-7-isocyano-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridine?
6-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-4a,9a-dimethyl-9-(4-methylphenyl)-1,2,3,4-tetrahydrocarbazole;6-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;[4-[6-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl]phenyl]-trimethylsilane;6-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-9-(4-fluorophenyl)-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;10-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-7-isocyano-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridine has a molecular weight of 3536.81 g/mol, XLogP of 68.99, 20 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-4a,9a-dimethyl-9-(4-methylphenyl)-1,2,3,4-tetrahydrocarbazole;6-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;[4-[6-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl]phenyl]-trimethylsilane;6-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-9-(4-fluorophenyl)-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;10-(9,9-diphenyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-7-isocyano-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridine is sourced from PubChem (CID 158242774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).