C353H262F6N2O — CID 159669989
6-[7-chrysen-6-yl-1-methoxy-5-phenyl-3,6-bis(trifluoromethyl)naphthalen-2-yl]chrysene;1-(3,6-ditert-butyl-7-pyren-1-ylnaphthalen-2-yl)pyrene;2-(3,6-ditert-butyl-7-triphenylen-2-ylnaphthalen-2-yl)triphenylene;3-[7-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalen-2-yl]-7,12-diphenylbenzo[k]fluoranthene;2-[3,6-di(pyren-4-yl)naphthalen-1-yl]pyrimidine;2,8,11-tritert-butyl-4-[7-(5,8,11-tritert-butylperylen-3-yl)naphthalen-2-yl]perylene (PubChem CID 159669989) has the molecular formula C353H262F6N2O and a molecular weight of 4661.98 g/mol. Its IUPAC name is 6-[7-chrysen-6-yl-1-methoxy-5-phenyl-3,6-bis(trifluoromethyl)naphthalen-2-yl]chrysene;1-(3,6-ditert-butyl-7-pyren-1-ylnaphthalen-2-yl)pyrene;2-(3,6-ditert-butyl-7-triphenylen-2-ylnaphthalen-2-yl)triphenylene;3-[7-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalen-2-yl]-7,12-diphenylbenzo[k]fluoranthene;2-[3,6-di(pyren-4-yl)naphthalen-1-yl]pyrimidine;2,8,11-tritert-butyl-4-[7-(5,8,11-tritert-butylperylen-3-yl)naphthalen-2-yl]perylene.
| Compound Name | 6-[7-chrysen-6-yl-1-methoxy-5-phenyl-3,6-bis(trifluoromethyl)naphthalen-2-yl]chrysene;1-(3,6-ditert-butyl-7-pyren-1-ylnaphthalen-2-yl)pyrene;2-(3,6-ditert-butyl-7-triphenylen-2-ylnaphthalen-2-yl)triphenylene;3-[7-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalen-2-yl]-7,12-diphenylbenzo[k]fluoranthene;2-[3,6-di(pyren-4-yl)naphthalen-1-yl]pyrimidine;2,8,11-tritert-butyl-4-[7-(5,8,11-tritert-butylperylen-3-yl)naphthalen-2-yl]perylene |
|---|---|
| PubChem CID | 159669989 |
| Molecular Formula | C353H262F6N2O |
| Molecular Weight | 4661.98 g/mol |
| Exact Mass | 4658.04 |
| IUPAC Name | 6-[7-chrysen-6-yl-1-methoxy-5-phenyl-3,6-bis(trifluoromethyl)naphthalen-2-yl]chrysene;1-(3,6-ditert-butyl-7-pyren-1-ylnaphthalen-2-yl)pyrene;2-(3,6-ditert-butyl-7-triphenylen-2-ylnaphthalen-2-yl)triphenylene;3-[7-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalen-2-yl]-7,12-diphenylbenzo[k]fluoranthene;2-[3,6-di(pyren-4-yl)naphthalen-1-yl]pyrimidine;2,8,11-tritert-butyl-4-[7-(5,8,11-tritert-butylperylen-3-yl)naphthalen-2-yl]perylene |
| SMILES | CC(C)(C)c1cc2cc(C(C)(C)C)c(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2cc1-c1ccc2c3ccccc3c3ccccc3c2c1.CC(C)(C)c1cc2cc(C(C)(C)C)c(-c3ccc4ccc5cccc6ccc3c4c56)cc2cc1-c1ccc2ccc3cccc4ccc1c2c34.CC(C)(C)c1cc2cc(C(C)(C)C)cc3c4cc(C(C)(C)C)cc5c(-c6ccc7ccc(-c8ccc9c%10cc(C(C)(C)C)cc%11cc(C(C)(C)C)cc(c%12cc(C(C)(C)C)cc8c9%12)c%11%10)cc7c6)ccc(c(c1)c23)c54.COc1c(-c2cc3c4ccccc4ccc3c3ccccc23)c(C(F)(F)F)cc2c(-c3ccccc3)c(C(F)(F)F)c(-c3cc4c5ccccc5ccc4c4ccccc34)cc12.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccc5ccc(-c6ccc7c8c(cccc68)-c6c-7c(-c7ccccc7)c7ccccc7c6-c6ccccc6)cc5c4)c4cccc-3c24)cc1.c1cnc(-c2cc(-c3cc4cccc5ccc6cccc3c6c54)cc3cc(-c4cc5cccc6ccc7cccc4c7c65)ccc23)nc1 |
| InChI | InChI=1S/C74H44.C74H76.C55H32F6O.C54H44.C50H40.C46H26N2/c1-5-19-46(20-6-1)65-57-27-13-15-29-59(57)67(48-23-9-3-10-24-48)73-63-41-39-53(55-31-17-33-61(69(55)63)71(65)73)50-37-35-45-36-38-51(44-52(45)43-50)54-40-42-64-70-56(54)32-18-34-62(70)72-66(47-21-7-2-8-22-47)58-28-14-16-30-60(58)68(74(64)72)49-25-11-4-12-26-49;1-69(2,3)47-29-45-31-49(71(7,8)9)35-61-63-39-51(73(13,14)15)37-57-53(23-25-55(67(57)63)59(33-47)65(45)61)42-21-19-41-20-22-43(28-44(41)27-42)54-24-26-56-60-34-48(70(4,5)6)30-46-32-50(72(10,11)12)36-62(66(46)60)64-40-52(74(16,17)18)38-58(54)68(56)64;1-62-53-48-29-47(44-27-42-34-17-7-5-13-31(34)23-25-40(42)36-19-9-11-21-38(36)44)52(55(59,60)61)50(33-15-3-2-4-16-33)46(48)30-49(54(56,57)58)51(53)45-28-43-35-18-8-6-14-32(35)24-26-41(43)37-20-10-12-22-39(37)45;1-53(2,3)51-31-36-32-52(54(4,5)6)48(34-24-26-46-42-20-10-8-16-38(42)40-18-12-14-22-44(40)50(46)28-34)30-35(36)29-47(51)33-23-25-45-41-19-9-7-15-37(41)39-17-11-13-21-43(39)49(45)27-33;1-49(2,3)43-27-36-28-44(50(4,5)6)42(38-22-18-34-16-14-30-10-8-12-32-20-24-40(38)48(34)46(30)32)26-35(36)25-41(43)37-21-17-33-15-13-29-9-7-11-31-19-23-39(37)47(33)45(29)31;1-6-27-14-16-29-8-3-12-37-39(24-32(10-1)42(27)44(29)37)31-18-19-36-34(22-31)23-35(26-41(36)46-47-20-5-21-48-46)40-25-33-11-2-7-28-15-17-30-9-4-13-38(40)45(30)43(28)33/h1-44H;19-40H,1-18H3;2-30H,1H3;7-32H,1-6H3;7-28H,1-6H3;1-26H |
| InChIKey | MTWLLFOECCACPM-UHFFFAOYSA-N |
| XLogP | 102.29 |
| TPSA | 35.01 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 362 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4661.98 |
| LogP ≤ 5 | 102.29 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |