C355H225NS — CID 158366000
2,5-bis(7,8,9,10-tetraphenylfluoranthen-3-yl)thiophene;3-[9,9-dimethyl-7-(7,8,9,10-tetraphenylfluoranthen-3-yl)fluoren-2-yl]-7,8,9,10-tetraphenylfluoranthene;N,7,8,9,10-pentakis-phenyl-N-(7,8,9,10-tetraphenylfluoranthen-3-yl)fluoranthen-3-amine;7,8,9,10-tetraphenyl-3-[6-(7,8,9,10-tetraphenylfluoranthen-3-yl)naphthalen-2-yl]fluoranthene (PubChem CID 158366000) has the molecular formula C355H225NS and a molecular weight of 4536.78 g/mol. Its IUPAC name is 2,5-bis(7,8,9,10-tetraphenylfluoranthen-3-yl)thiophene;3-[9,9-dimethyl-7-(7,8,9,10-tetraphenylfluoranthen-3-yl)fluoren-2-yl]-7,8,9,10-tetraphenylfluoranthene;N,7,8,9,10-pentakis-phenyl-N-(7,8,9,10-tetraphenylfluoranthen-3-yl)fluoranthen-3-amine;7,8,9,10-tetraphenyl-3-[6-(7,8,9,10-tetraphenylfluoranthen-3-yl)naphthalen-2-yl]fluoranthene.
| Compound Name | 2,5-bis(7,8,9,10-tetraphenylfluoranthen-3-yl)thiophene;3-[9,9-dimethyl-7-(7,8,9,10-tetraphenylfluoranthen-3-yl)fluoren-2-yl]-7,8,9,10-tetraphenylfluoranthene;N,7,8,9,10-pentakis-phenyl-N-(7,8,9,10-tetraphenylfluoranthen-3-yl)fluoranthen-3-amine;7,8,9,10-tetraphenyl-3-[6-(7,8,9,10-tetraphenylfluoranthen-3-yl)naphthalen-2-yl]fluoranthene |
|---|---|
| PubChem CID | 158366000 |
| Molecular Formula | C355H225NS |
| Molecular Weight | 4536.78 g/mol |
| Exact Mass | 4532.74 |
| IUPAC Name | 2,5-bis(7,8,9,10-tetraphenylfluoranthen-3-yl)thiophene;3-[9,9-dimethyl-7-(7,8,9,10-tetraphenylfluoranthen-3-yl)fluoren-2-yl]-7,8,9,10-tetraphenylfluoranthene;N,7,8,9,10-pentakis-phenyl-N-(7,8,9,10-tetraphenylfluoranthen-3-yl)fluoranthen-3-amine;7,8,9,10-tetraphenyl-3-[6-(7,8,9,10-tetraphenylfluoranthen-3-yl)naphthalen-2-yl]fluoranthene |
| SMILES | CC1(C)c2cc(-c3ccc4c5c(cccc35)-c3c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c3-4)ccc2-c2ccc(-c3ccc4c5c(cccc35)-c3c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c3-4)cc21.c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c3c(c2-c2ccccc2)-c2cccc4c(-c5ccc(-c6ccc7c8c(cccc68)-c6c(-c8ccccc8)c(-c8ccccc8)c(-c8ccccc8)c(-c8ccccc8)c6-7)s5)ccc-3c24)cc1.c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c3c(c2-c2ccccc2)-c2cccc4c(-c5ccc6cc(-c7ccc8c9c(cccc79)-c7c(-c9ccccc9)c(-c9ccccc9)c(-c9ccccc9)c(-c9ccccc9)c7-8)ccc6c5)ccc-3c24)cc1.c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c3c(c2-c2ccccc2)-c2cccc4c(N(c5ccccc5)c5ccc6c7c(cccc57)-c5c(-c7ccccc7)c(-c7ccccc7)c(-c7ccccc7)c(-c7ccccc7)c5-6)ccc-3c24)cc1 |
| InChI | InChI=1S/C95H62.C90H56.C86H55N.C84H52S/c1-95(2)79-57-67(69-53-55-77-89-73(69)45-27-47-75(89)91-85(63-37-19-7-20-38-63)81(59-29-11-3-12-30-59)83(61-33-15-5-16-34-61)87(93(77)91)65-41-23-9-24-42-65)49-51-71(79)72-52-50-68(58-80(72)95)70-54-56-78-90-74(70)46-28-48-76(90)92-86(64-39-21-8-22-40-64)82(60-31-13-4-14-32-60)84(62-35-17-6-18-36-62)88(94(78)92)66-43-25-10-26-44-66;1-9-27-57(28-10-1)77-79(59-31-13-3-14-32-59)83(63-39-21-7-22-40-63)89-75-53-51-69(71-43-25-45-73(85(71)75)87(89)81(77)61-35-17-5-18-36-61)67-49-47-66-56-68(50-48-65(66)55-67)70-52-54-76-86-72(70)44-26-46-74(86)88-82(62-37-19-6-20-38-62)78(58-29-11-2-12-30-58)80(60-33-15-4-16-34-60)84(90(76)88)64-41-23-8-24-42-64;1-10-30-56(31-11-1)73-75(58-34-14-3-15-35-58)79(62-42-22-7-23-43-62)85-69-52-54-71(65-48-28-50-67(81(65)69)83(85)77(73)60-38-18-5-19-39-60)87(64-46-26-9-27-47-64)72-55-53-70-82-66(72)49-29-51-68(82)84-78(61-40-20-6-21-41-61)74(57-32-12-2-13-33-57)76(59-36-16-4-17-37-59)80(86(70)84)63-44-24-8-25-45-63;1-9-27-53(28-10-1)71-73(55-31-13-3-14-32-55)77(59-39-21-7-22-40-59)83-67-49-47-61(63-43-25-45-65(79(63)67)81(83)75(71)57-35-17-5-18-36-57)69-51-52-70(85-69)62-48-50-68-80-64(62)44-26-46-66(80)82-76(58-37-19-6-20-38-58)72(54-29-11-2-12-30-54)74(56-33-15-4-16-34-56)78(84(68)82)60-41-23-8-24-42-60/h3-58H,1-2H3;1-56H;1-55H;1-52H |
| InChIKey | GUAPHFQNKZLBBY-UHFFFAOYSA-N |
| XLogP | 99.49 |
| TPSA | 3.24 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 357 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4536.78 |
| LogP ≤ 5 | 99.49 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |