C302H188 — CID 158235266
7,8,9,10-tetraphenyl-3-[10-(7,8,9,10-tetraphenylfluoranthen-3-yl)anthracen-9-yl]fluoranthene;7,8,9,10-tetraphenyl-3-[(E)-2-(7,8,9,10-tetraphenylfluoranthen-3-yl)ethenyl]fluoranthene;7,8,9,10-tetraphenyl-3-[3-(7,8,9,10-tetraphenylfluoranthen-2-yl)-5-(7,8,9,10-tetraphenylfluoranthen-3-yl)phenyl]fluoranthene (PubChem CID 158235266) has the molecular formula C302H188 and a molecular weight of 3816.83 g/mol. Its IUPAC name is 7,8,9,10-tetraphenyl-3-[10-(7,8,9,10-tetraphenylfluoranthen-3-yl)anthracen-9-yl]fluoranthene;7,8,9,10-tetraphenyl-3-[(E)-2-(7,8,9,10-tetraphenylfluoranthen-3-yl)ethenyl]fluoranthene;7,8,9,10-tetraphenyl-3-[3-(7,8,9,10-tetraphenylfluoranthen-2-yl)-5-(7,8,9,10-tetraphenylfluoranthen-3-yl)phenyl]fluoranthene.
| Compound Name | 7,8,9,10-tetraphenyl-3-[10-(7,8,9,10-tetraphenylfluoranthen-3-yl)anthracen-9-yl]fluoranthene;7,8,9,10-tetraphenyl-3-[(E)-2-(7,8,9,10-tetraphenylfluoranthen-3-yl)ethenyl]fluoranthene;7,8,9,10-tetraphenyl-3-[3-(7,8,9,10-tetraphenylfluoranthen-2-yl)-5-(7,8,9,10-tetraphenylfluoranthen-3-yl)phenyl]fluoranthene |
|---|---|
| PubChem CID | 158235266 |
| Molecular Formula | C302H188 |
| Molecular Weight | 3816.83 g/mol |
| Exact Mass | 3813.47 |
| IUPAC Name | 7,8,9,10-tetraphenyl-3-[10-(7,8,9,10-tetraphenylfluoranthen-3-yl)anthracen-9-yl]fluoranthene;7,8,9,10-tetraphenyl-3-[(E)-2-(7,8,9,10-tetraphenylfluoranthen-3-yl)ethenyl]fluoranthene;7,8,9,10-tetraphenyl-3-[3-(7,8,9,10-tetraphenylfluoranthen-2-yl)-5-(7,8,9,10-tetraphenylfluoranthen-3-yl)phenyl]fluoranthene |
| SMILES | C(=C/c1ccc2c3c(cccc13)-c1c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c1-2)\c1ccc2c3c(cccc13)-c1c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c1-2.c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c3c(c2-c2ccccc2)-c2cccc4c(-c5c6ccccc6c(-c6ccc7c8c(cccc68)-c6c(-c8ccccc8)c(-c8ccccc8)c(-c8ccccc8)c(-c8ccccc8)c6-7)c6ccccc56)ccc-3c24)cc1.c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c3c(c2-c2ccccc2)-c2cccc4cc(-c5cc(-c6ccc7c8c(cccc68)-c6c(-c8ccccc8)c(-c8ccccc8)c(-c8ccccc8)c(-c8ccccc8)c6-7)cc(-c6ccc7c8c(cccc68)-c6c(-c8ccccc8)c(-c8ccccc8)c(-c8ccccc8)c(-c8ccccc8)c6-7)c5)cc-3c24)cc1 |
| InChI | InChI=1S/C126H78.C94H58.C82H52/c1-13-40-79(41-14-1)107-109(81-44-17-3-18-45-81)116(88-58-31-10-32-59-88)124-103-72-70-96(98-65-38-68-101(119(98)103)122(124)114(107)86-54-27-8-28-55-86)94-75-92(93-74-91-64-37-67-100-106(91)105(78-93)126-118(90-62-35-12-36-63-90)112(84-50-23-6-24-51-84)111(83-48-21-5-22-49-83)113(121(100)126)85-52-25-7-26-53-85)76-95(77-94)97-71-73-104-120-99(97)66-39-69-102(120)123-115(87-56-29-9-30-57-87)108(80-42-15-2-16-43-80)110(82-46-19-4-20-47-82)117(125(104)123)89-60-33-11-34-61-89;1-9-31-59(32-10-1)79-81(61-35-13-3-14-36-61)85(65-43-21-7-22-44-65)93-77-57-55-73(71-51-29-53-75(89(71)77)91(93)83(79)63-39-17-5-18-40-63)87-67-47-25-27-49-69(67)88(70-50-28-26-48-68(70)87)74-56-58-78-90-72(74)52-30-54-76(90)92-84(64-41-19-6-20-42-64)80(60-33-11-2-12-34-60)82(62-37-15-4-16-38-62)86(94(78)92)66-45-23-8-24-46-66;1-9-27-55(28-10-1)69-71(57-31-13-3-14-32-57)75(61-39-21-7-22-40-61)81-67-51-49-53(63-43-25-45-65(77(63)67)79(81)73(69)59-35-17-5-18-36-59)47-48-54-50-52-68-78-64(54)44-26-46-66(78)80-74(60-37-19-6-20-38-60)70(56-29-11-2-12-30-56)72(58-33-15-4-16-34-58)76(82(68)80)62-41-23-8-24-42-62/h1-78H;1-58H;1-52H/b;;48-47+ |
| InChIKey | GEWQIFIEZRIRCE-MUVBBSKDSA-N |
| XLogP | 84.15 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 35 |
| Heavy Atoms | 302 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3816.83 |
| LogP ≤ 5 | 84.15 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |