C308H238 — CID 160808961
9-(2,5-ditert-butyl-3a,10c-dihydrofluoranthen-8-yl)-3,7,12-triphenylbenzo[k]fluoranthene;2,5-ditert-butyl-9-(2,5-ditert-butyl-3a,10c-dihydrofluoranthen-8-yl)-7,12-diphenylbenzo[k]fluoranthene;2,5-ditert-butyl-7,12-diphenyl-9-(3-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene;3,7,12-triphenyl-9-(4-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene;4,7,12-triphenyl-9-(4-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene (PubChem CID 160808961) has the molecular formula C308H238 and a molecular weight of 3939.29 g/mol. Its IUPAC name is 9-(2,5-ditert-butyl-3a,10c-dihydrofluoranthen-8-yl)-3,7,12-triphenylbenzo[k]fluoranthene;2,5-ditert-butyl-9-(2,5-ditert-butyl-3a,10c-dihydrofluoranthen-8-yl)-7,12-diphenylbenzo[k]fluoranthene;2,5-ditert-butyl-7,12-diphenyl-9-(3-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene;3,7,12-triphenyl-9-(4-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene;4,7,12-triphenyl-9-(4-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene.
| Compound Name | 9-(2,5-ditert-butyl-3a,10c-dihydrofluoranthen-8-yl)-3,7,12-triphenylbenzo[k]fluoranthene;2,5-ditert-butyl-9-(2,5-ditert-butyl-3a,10c-dihydrofluoranthen-8-yl)-7,12-diphenylbenzo[k]fluoranthene;2,5-ditert-butyl-7,12-diphenyl-9-(3-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene;3,7,12-triphenyl-9-(4-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene;4,7,12-triphenyl-9-(4-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene |
|---|---|
| PubChem CID | 160808961 |
| Molecular Formula | C308H238 |
| Molecular Weight | 3939.29 g/mol |
| Exact Mass | 3935.86 |
| IUPAC Name | 9-(2,5-ditert-butyl-3a,10c-dihydrofluoranthen-8-yl)-3,7,12-triphenylbenzo[k]fluoranthene;2,5-ditert-butyl-9-(2,5-ditert-butyl-3a,10c-dihydrofluoranthen-8-yl)-7,12-diphenylbenzo[k]fluoranthene;2,5-ditert-butyl-7,12-diphenyl-9-(3-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene;3,7,12-triphenyl-9-(4-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene;4,7,12-triphenyl-9-(4-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene |
| SMILES | C1=CC2C(c3ccccc3)=CC=C3c4cc(-c5ccc6c(-c7ccccc7)c7c(c(-c8ccccc8)c6c5)-c5ccc(-c6ccccc6)c6cccc-7c56)ccc4C(=C1)C32.C1=CC2C(c3ccccc3)=CC=C3c4cc(-c5ccc6c(-c7ccccc7)c7c(c(-c8ccccc8)c6c5)-c5cccc6c(-c8ccccc8)ccc-7c56)ccc4C(=C1)C32.CC(C)(C)C1=CC2C=C(C(C)(C)C)C=C3c4cc(-c5ccc6c(-c7ccccc7)c7c(c(-c8ccccc8)c6c5)-c5cc(C(C)(C)C)cc6cc(C(C)(C)C)cc-7c56)ccc4C(=C1)C32.CC(C)(C)C1=CC2C=C(C(C)(C)C)C=C3c4cc(-c5ccc6c(-c7ccccc7)c7c(c(-c8ccccc8)c6c5)-c5cccc6c(-c8ccccc8)ccc-7c56)ccc4C(=C1)C32.CC(C)(C)c1cc2c3c(cc(C(C)(C)C)cc3c1)-c1c-2c(-c2ccccc2)c2ccc(-c3ccc4c(c3)C3=CC=CC5C(c6ccccc6)=CC=C4C35)cc2c1-c1ccccc1 |
| InChI | InChI=1S/C64H62.2C62H50.2C60H38/c1-61(2,3)43-27-41-28-44(62(4,5)6)34-52-49-31-39(23-25-47(49)51(33-43)55(41)52)40-24-26-48-50(32-40)58(38-21-17-14-18-22-38)60-54-36-46(64(10,11)12)30-42-29-45(63(7,8)9)35-53(56(42)54)59(60)57(48)37-19-15-13-16-20-37;1-61(2,3)43-31-42-32-44(62(4,5)6)36-54-51-33-40(25-27-46(51)53(35-43)55(42)54)41-26-28-48-52(34-41)57(39-21-14-9-15-22-39)59-49-24-16-23-47-45(37-17-10-7-11-18-37)29-30-50(58(47)49)60(59)56(48)38-19-12-8-13-20-38;1-61(2,3)43-31-42-32-44(62(4,5)6)36-54-55(42)53(35-43)59-56(38-19-12-8-13-20-38)50-28-26-41(34-52(50)57(60(54)59)39-21-14-9-15-22-39)40-25-27-46-49-30-29-45(37-17-10-7-11-18-37)47-23-16-24-48(58(47)49)51(46)33-40;1-5-15-37(16-6-1)43-31-33-49-53-35-41(27-29-45(53)48-25-13-23-46(43)57(48)49)42-28-30-50-54(36-42)56(40-21-11-4-12-22-40)59-51-26-14-24-47-44(38-17-7-2-8-18-38)32-34-52(58(47)51)60(59)55(50)39-19-9-3-10-20-39;1-5-15-37(16-6-1)43-31-33-49-53-35-41(27-29-45(53)48-25-13-23-46(43)57(48)49)42-28-30-50-54(36-42)56(40-21-11-4-12-22-40)60-52-34-32-44(38-17-7-2-8-18-38)47-24-14-26-51(58(47)52)59(60)55(50)39-19-9-3-10-20-39/h13-36,41,55H,1-12H3;7-36,42,55H,1-6H3;7-36,47,58H,1-6H3;2*1-36,46,57H |
| InChIKey | SEBIZCJNCKJUCK-UHFFFAOYSA-N |
| XLogP | 84.41 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 21 |
| Heavy Atoms | 308 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3939.29 |
| LogP ≤ 5 | 84.41 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |