C316H188 — CID 158327029
3-(7,12-dinaphthalen-2-yl-9,10-diphenylbenzo[k]fluoranthen-3-yl)-7,12-dinaphthalen-2-yl-9,10-diphenylbenzo[k]fluoranthene;3-(7,10-diphenylfluoranthen-3-yl)-7,12-diphenylbenzo[k]fluoranthene;7-naphthalen-1-yl-12-naphthalen-2-yl-3-(7-naphthalen-1-yl-12-naphthalen-2-yl-9,10-diphenylbenzo[k]fluoranthen-3-yl)-9,10-diphenylbenzo[k]fluoranthene;7-phenyl-4-(7-phenylfluoranthen-3-yl)benzo[k]fluoranthene (PubChem CID 158327029) has the molecular formula C316H188 and a molecular weight of 3984.98 g/mol. Its IUPAC name is 3-(7,12-dinaphthalen-2-yl-9,10-diphenylbenzo[k]fluoranthen-3-yl)-7,12-dinaphthalen-2-yl-9,10-diphenylbenzo[k]fluoranthene;3-(7,10-diphenylfluoranthen-3-yl)-7,12-diphenylbenzo[k]fluoranthene;7-naphthalen-1-yl-12-naphthalen-2-yl-3-(7-naphthalen-1-yl-12-naphthalen-2-yl-9,10-diphenylbenzo[k]fluoranthen-3-yl)-9,10-diphenylbenzo[k]fluoranthene;7-phenyl-4-(7-phenylfluoranthen-3-yl)benzo[k]fluoranthene.
| Compound Name | 3-(7,12-dinaphthalen-2-yl-9,10-diphenylbenzo[k]fluoranthen-3-yl)-7,12-dinaphthalen-2-yl-9,10-diphenylbenzo[k]fluoranthene;3-(7,10-diphenylfluoranthen-3-yl)-7,12-diphenylbenzo[k]fluoranthene;7-naphthalen-1-yl-12-naphthalen-2-yl-3-(7-naphthalen-1-yl-12-naphthalen-2-yl-9,10-diphenylbenzo[k]fluoranthen-3-yl)-9,10-diphenylbenzo[k]fluoranthene;7-phenyl-4-(7-phenylfluoranthen-3-yl)benzo[k]fluoranthene |
|---|---|
| PubChem CID | 158327029 |
| Molecular Formula | C316H188 |
| Molecular Weight | 3984.98 g/mol |
| Exact Mass | 3981.47 |
| IUPAC Name | 3-(7,12-dinaphthalen-2-yl-9,10-diphenylbenzo[k]fluoranthen-3-yl)-7,12-dinaphthalen-2-yl-9,10-diphenylbenzo[k]fluoranthene;3-(7,10-diphenylfluoranthen-3-yl)-7,12-diphenylbenzo[k]fluoranthene;7-naphthalen-1-yl-12-naphthalen-2-yl-3-(7-naphthalen-1-yl-12-naphthalen-2-yl-9,10-diphenylbenzo[k]fluoranthen-3-yl)-9,10-diphenylbenzo[k]fluoranthene;7-phenyl-4-(7-phenylfluoranthen-3-yl)benzo[k]fluoranthene |
| SMILES | c1ccc(-c2cc3c(-c4ccc5ccccc5c4)c4c(c(-c5ccc6ccccc6c5)c3cc2-c2ccccc2)-c2ccc(-c3ccc5c6c(cccc36)-c3c-5c(-c5ccc6ccccc6c5)c5cc(-c6ccccc6)c(-c6ccccc6)cc5c3-c3ccc5ccccc5c3)c3cccc-4c23)cc1.c1ccc(-c2cc3c(-c4ccc5ccccc5c4)c4c(c(-c5cccc6ccccc56)c3cc2-c2ccccc2)-c2cccc3c(-c5ccc6c7c(cccc57)-c5c-6c(-c6ccc7ccccc7c6)c6cc(-c7ccccc7)c(-c7ccccc7)cc6c5-c5cccc6ccccc56)ccc-4c23)cc1.c1ccc(-c2ccc(-c3ccccc3)c3c2-c2cccc4c(-c5ccc6c7c(cccc57)-c5c-6c(-c6ccccc6)c6ccccc6c5-c5ccccc5)ccc-3c24)cc1.c1ccc(-c2cccc3c2-c2cccc4c(-c5ccc6c7c(cccc57)-c5cc7ccccc7c(-c7ccccc7)c5-6)ccc-3c24)cc1 |
| InChI | InChI=1S/2C104H62.C60H36.C48H28/c1-5-27-67(28-6-1)87-59-91-93(61-89(87)69-31-9-3-10-32-69)97(77-49-45-65-25-15-19-37-73(65)57-77)103-85-53-51-79(81-39-21-41-83(99(81)85)101(103)95(91)75-47-43-63-23-13-17-35-71(63)55-75)80-52-54-86-100-82(80)40-22-42-84(100)102-96(76-48-44-64-24-14-18-36-72(64)56-76)92-60-88(68-29-7-2-8-30-68)90(70-33-11-4-12-34-70)62-94(92)98(104(86)102)78-50-46-66-26-16-20-38-74(66)58-78;1-5-27-67(28-6-1)87-59-91-93(61-89(87)69-31-9-3-10-32-69)99(79-43-21-39-65-35-17-19-41-75(65)79)103-83-47-23-45-81-77(53-55-85(97(81)83)101(103)95(91)73-51-49-63-25-13-15-37-71(63)57-73)78-54-56-86-98-82(78)46-24-48-84(98)104-100(80-44-22-40-66-36-18-20-42-76(66)80)94-62-90(70-33-11-4-12-34-70)88(68-29-7-2-8-30-68)60-92(94)96(102(86)104)74-52-50-64-26-14-16-38-72(64)58-74;1-5-17-37(18-6-1)41-31-32-42(38-19-7-2-8-20-38)58-51-35-33-43(45-27-15-29-49(55(45)51)57(41)58)44-34-36-52-56-46(44)28-16-30-50(56)59-53(39-21-9-3-10-22-39)47-25-13-14-26-48(47)54(60(52)59)40-23-11-4-12-24-40;1-3-12-29(13-4-1)32-18-9-21-38-40-26-24-34(37-20-11-23-41(45(32)38)47(37)40)35-25-27-42-46-36(35)19-10-22-39(46)43-28-31-16-7-8-17-33(31)44(48(42)43)30-14-5-2-6-15-30/h2*1-62H;1-36H;1-28H |
| InChIKey | GPNPGOXILACOAV-UHFFFAOYSA-N |
| XLogP | 88.64 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 26 |
| Heavy Atoms | 316 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3984.98 |
| LogP ≤ 5 | 88.64 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |