C292H178 — CID 162198422
3-[9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]-9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthene;7-naphthalen-1-yl-12-naphthalen-2-yl-3-(7-naphthalen-1-yl-12-naphthalen-2-ylbenzo[k]fluoranthen-3-yl)benzo[k]fluoranthene;9,10,12-triphenyl-7-(4-phenylphenyl)-4-[9,10,12-triphenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene (PubChem CID 162198422) has the molecular formula C292H178 and a molecular weight of 3686.64 g/mol. Its IUPAC name is 3-[9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]-9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthene;7-naphthalen-1-yl-12-naphthalen-2-yl-3-(7-naphthalen-1-yl-12-naphthalen-2-ylbenzo[k]fluoranthen-3-yl)benzo[k]fluoranthene;9,10,12-triphenyl-7-(4-phenylphenyl)-4-[9,10,12-triphenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene.
| Compound Name | 3-[9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]-9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthene;7-naphthalen-1-yl-12-naphthalen-2-yl-3-(7-naphthalen-1-yl-12-naphthalen-2-ylbenzo[k]fluoranthen-3-yl)benzo[k]fluoranthene;9,10,12-triphenyl-7-(4-phenylphenyl)-4-[9,10,12-triphenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene |
|---|---|
| PubChem CID | 162198422 |
| Molecular Formula | C292H178 |
| Molecular Weight | 3686.64 g/mol |
| Exact Mass | 3683.39 |
| IUPAC Name | 3-[9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]-9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthene;7-naphthalen-1-yl-12-naphthalen-2-yl-3-(7-naphthalen-1-yl-12-naphthalen-2-ylbenzo[k]fluoranthen-3-yl)benzo[k]fluoranthene;9,10,12-triphenyl-7-(4-phenylphenyl)-4-[9,10,12-triphenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene |
| SMILES | c1ccc(-c2ccc(-c3c4c(c(-c5ccc(-c6ccccc6)cc5)c5cc(-c6ccccc6)c(-c6ccccc6)cc35)-c3ccc(-c5ccc6c7c(cccc57)-c5c-6c(-c6ccc(-c7ccccc7)cc6)c6cc(-c7ccccc7)c(-c7ccccc7)cc6c5-c5ccc(-c6ccccc6)cc5)c5cccc-4c35)cc2)cc1.c1ccc(-c2ccc(-c3c4c(c(-c5ccccc5)c5cc(-c6ccccc6)c(-c6ccccc6)cc35)-c3cccc5c(-c6ccc7c8c(cccc68)-c6c-7c(-c7ccc(-c8ccccc8)cc7)c7cc(-c8ccccc8)c(-c8ccccc8)cc7c6-c6ccccc6)ccc-4c35)cc2)cc1.c1ccc2cc(-c3c4c(c(-c5cccc6ccccc56)c5ccccc35)-c3cccc5c(-c6ccc7c8c(cccc68)-c6c-7c(-c7ccc8ccccc8c7)c7ccccc7c6-c6cccc7ccccc67)ccc-4c35)ccc2c1 |
| InChI | InChI=1S/C112H70.C100H62.C80H46/c1-9-27-71(28-10-1)75-47-55-83(56-48-75)103-99-67-95(79-35-17-5-18-36-79)97(81-39-21-7-22-40-81)69-101(99)105(85-59-51-77(52-60-85)73-31-13-3-14-32-73)111-93-65-63-87(89-43-25-45-91(107(89)93)109(103)111)88-64-66-94-108-90(88)44-26-46-92(108)110-104(84-57-49-76(50-58-84)72-29-11-2-12-30-72)100-68-96(80-37-19-6-20-38-80)98(82-41-23-8-24-42-82)70-102(100)106(112(94)110)86-61-53-78(54-62-86)74-33-15-4-16-34-74;1-9-27-63(28-10-1)65-47-51-73(52-48-65)93-89-61-85(69-35-17-5-18-36-69)83(67-31-13-3-14-32-67)59-87(89)91(71-39-21-7-22-40-71)97-79-45-25-43-77-75(55-57-81(95(77)79)99(93)97)76-56-58-82-96-78(76)44-26-46-80(96)98-92(72-41-23-8-24-42-72)88-60-84(68-33-15-4-16-34-68)86(70-37-19-6-20-38-70)62-90(88)94(100(82)98)74-53-49-66(50-54-74)64-29-11-2-12-30-64;1-3-21-51-45-53(39-37-47(51)17-1)71-63-27-9-11-29-65(63)75(59-31-13-23-49-19-5-7-25-55(49)59)79-67-35-15-33-61-57(41-43-69(73(61)67)77(71)79)58-42-44-70-74-62(58)34-16-36-68(74)80-76(60-32-14-24-50-20-6-8-26-56(50)60)66-30-12-10-28-64(66)72(78(70)80)54-40-38-48-18-2-4-22-52(48)46-54/h1-70H;1-62H;1-46H |
| InChIKey | ZRGIQFDIVWAHRR-UHFFFAOYSA-N |
| XLogP | 81.74 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 29 |
| Heavy Atoms | 292 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3686.64 |
| LogP ≤ 5 | 81.74 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |