C329H204S — CID 159598216
3-[9,9-dimethyl-7-(7,8,9,10-tetraphenylfluoranthen-3-yl)fluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene;2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5-(7,8,9,10-tetraphenylfluoranthen-3-yl)thiophene;7,12-diphenyl-3-[6-(7,8,9,10-tetraphenylfluoranthen-3-yl)naphthalen-2-yl]benzo[k]fluoranthene;7,12-diphenyl-3-[4-[4-(7,8,9,10-tetraphenylfluoranthen-3-yl)phenyl]phenyl]benzo[k]fluoranthene (PubChem CID 159598216) has the molecular formula C329H204S and a molecular weight of 4189.32 g/mol. Its IUPAC name is 3-[9,9-dimethyl-7-(7,8,9,10-tetraphenylfluoranthen-3-yl)fluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene;2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5-(7,8,9,10-tetraphenylfluoranthen-3-yl)thiophene;7,12-diphenyl-3-[6-(7,8,9,10-tetraphenylfluoranthen-3-yl)naphthalen-2-yl]benzo[k]fluoranthene;7,12-diphenyl-3-[4-[4-(7,8,9,10-tetraphenylfluoranthen-3-yl)phenyl]phenyl]benzo[k]fluoranthene.
| Compound Name | 3-[9,9-dimethyl-7-(7,8,9,10-tetraphenylfluoranthen-3-yl)fluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene;2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5-(7,8,9,10-tetraphenylfluoranthen-3-yl)thiophene;7,12-diphenyl-3-[6-(7,8,9,10-tetraphenylfluoranthen-3-yl)naphthalen-2-yl]benzo[k]fluoranthene;7,12-diphenyl-3-[4-[4-(7,8,9,10-tetraphenylfluoranthen-3-yl)phenyl]phenyl]benzo[k]fluoranthene |
|---|---|
| PubChem CID | 159598216 |
| Molecular Formula | C329H204S |
| Molecular Weight | 4189.32 g/mol |
| Exact Mass | 4185.57 |
| IUPAC Name | 3-[9,9-dimethyl-7-(7,8,9,10-tetraphenylfluoranthen-3-yl)fluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene;2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5-(7,8,9,10-tetraphenylfluoranthen-3-yl)thiophene;7,12-diphenyl-3-[6-(7,8,9,10-tetraphenylfluoranthen-3-yl)naphthalen-2-yl]benzo[k]fluoranthene;7,12-diphenyl-3-[4-[4-(7,8,9,10-tetraphenylfluoranthen-3-yl)phenyl]phenyl]benzo[k]fluoranthene |
| SMILES | CC1(C)c2cc(-c3ccc4c5c(cccc35)-c3c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c3-4)ccc2-c2ccc(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccccc4)c4ccccc4c3-c3ccccc3)cc21.c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c3c(c2-c2ccccc2)-c2cccc4c(-c5ccc(-c6ccc(-c7ccc8c9c(cccc79)-c7c-8c(-c8ccccc8)c8ccccc8c7-c7ccccc7)cc6)cc5)ccc-3c24)cc1.c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c3c(c2-c2ccccc2)-c2cccc4c(-c5ccc(-c6ccc7c8c(cccc68)-c6c-7c(-c7ccccc7)c7ccccc7c6-c6ccccc6)s5)ccc-3c24)cc1.c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c3c(c2-c2ccccc2)-c2cccc4c(-c5ccc6cc(-c7ccc8c9c(cccc79)-c7c-8c(-c8ccccc8)c8ccccc8c7-c7ccccc7)ccc6c5)ccc-3c24)cc1 |
| InChI | InChI=1S/C87H56.C84H52.C82H50.C76H46S/c1-87(2)73-51-59(61-47-49-71-81-65(61)39-23-41-69(81)83-75(53-25-9-3-10-26-53)67-37-21-22-38-68(67)76(84(71)83)54-27-11-4-12-28-54)43-45-63(73)64-46-44-60(52-74(64)87)62-48-50-72-82-66(62)40-24-42-70(82)85-79(57-33-17-7-18-34-57)77(55-29-13-5-14-30-55)78(56-31-15-6-16-32-56)80(86(72)85)58-35-19-8-20-36-58;1-7-23-57(24-8-1)73-67-35-19-20-36-68(67)74(58-25-9-2-10-26-58)82-71-51-49-63(65-37-21-39-69(79(65)71)81(73)82)55-45-41-53(42-46-55)54-43-47-56(48-44-54)64-50-52-72-80-66(64)38-22-40-70(80)83-77(61-31-15-5-16-32-61)75(59-27-11-3-12-28-59)76(60-29-13-4-14-30-60)78(84(72)83)62-33-17-6-18-34-62;1-7-23-51(24-8-1)71-65-35-19-20-36-66(65)72(52-25-9-2-10-26-52)80-69-47-45-61(63-37-21-39-67(77(63)69)79(71)80)59-43-41-58-50-60(44-42-57(58)49-59)62-46-48-70-78-64(62)38-22-40-68(78)81-75(55-31-15-5-16-32-55)73(53-27-11-3-12-28-53)74(54-29-13-4-14-30-54)76(82(70)81)56-33-17-6-18-34-56;1-7-23-47(24-8-1)65-57-35-19-20-36-58(57)66(48-25-9-2-10-26-48)74-61-43-41-53(55-37-21-39-59(71(55)61)73(65)74)63-45-46-64(77-63)54-42-44-62-72-56(54)38-22-40-60(72)75-69(51-31-15-5-16-32-51)67(49-27-11-3-12-28-49)68(50-29-13-4-14-30-50)70(76(62)75)52-33-17-6-18-34-52/h3-52H,1-2H3;1-52H;1-50H;1-46H |
| InChIKey | MLCWAYCKJIGFHF-UHFFFAOYSA-N |
| XLogP | 92.30 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 330 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4189.32 |
| LogP ≤ 5 | 92.30 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |