C332H200 — CID 158693129
3-[7,10-bis(2-phenylphenyl)fluoranthen-3-yl]-9,10-diphenyl-7,12-bis(2-phenylphenyl)benzo[k]fluoranthene;3-(7,10-dinaphthalen-1-ylfluoranthen-3-yl)-7,12-dinaphthalen-1-ylbenzo[k]fluoranthene;7-naphthalen-1-yl-12-naphthalen-2-yl-3-(7-naphthalen-1-yl-10-naphthalen-2-ylfluoranthen-3-yl)benzo[k]fluoranthene;9,10,12-triphenyl-7-(4-phenylphenyl)-4-[7-phenyl-10-(4-phenylphenyl)fluoranthen-3-yl]benzo[k]fluoranthene (PubChem CID 158693129) has the molecular formula C332H200 and a molecular weight of 4189.25 g/mol. Its IUPAC name is 3-[7,10-bis(2-phenylphenyl)fluoranthen-3-yl]-9,10-diphenyl-7,12-bis(2-phenylphenyl)benzo[k]fluoranthene;3-(7,10-dinaphthalen-1-ylfluoranthen-3-yl)-7,12-dinaphthalen-1-ylbenzo[k]fluoranthene;7-naphthalen-1-yl-12-naphthalen-2-yl-3-(7-naphthalen-1-yl-10-naphthalen-2-ylfluoranthen-3-yl)benzo[k]fluoranthene;9,10,12-triphenyl-7-(4-phenylphenyl)-4-[7-phenyl-10-(4-phenylphenyl)fluoranthen-3-yl]benzo[k]fluoranthene.
| Compound Name | 3-[7,10-bis(2-phenylphenyl)fluoranthen-3-yl]-9,10-diphenyl-7,12-bis(2-phenylphenyl)benzo[k]fluoranthene;3-(7,10-dinaphthalen-1-ylfluoranthen-3-yl)-7,12-dinaphthalen-1-ylbenzo[k]fluoranthene;7-naphthalen-1-yl-12-naphthalen-2-yl-3-(7-naphthalen-1-yl-10-naphthalen-2-ylfluoranthen-3-yl)benzo[k]fluoranthene;9,10,12-triphenyl-7-(4-phenylphenyl)-4-[7-phenyl-10-(4-phenylphenyl)fluoranthen-3-yl]benzo[k]fluoranthene |
|---|---|
| PubChem CID | 158693129 |
| Molecular Formula | C332H200 |
| Molecular Weight | 4189.25 g/mol |
| Exact Mass | 4185.57 |
| IUPAC Name | 3-[7,10-bis(2-phenylphenyl)fluoranthen-3-yl]-9,10-diphenyl-7,12-bis(2-phenylphenyl)benzo[k]fluoranthene;3-(7,10-dinaphthalen-1-ylfluoranthen-3-yl)-7,12-dinaphthalen-1-ylbenzo[k]fluoranthene;7-naphthalen-1-yl-12-naphthalen-2-yl-3-(7-naphthalen-1-yl-10-naphthalen-2-ylfluoranthen-3-yl)benzo[k]fluoranthene;9,10,12-triphenyl-7-(4-phenylphenyl)-4-[7-phenyl-10-(4-phenylphenyl)fluoranthen-3-yl]benzo[k]fluoranthene |
| SMILES | c1ccc(-c2cc3c(-c4ccccc4-c4ccccc4)c4c(c(-c5ccccc5-c5ccccc5)c3cc2-c2ccccc2)-c2ccc(-c3ccc5c6c(cccc36)-c3c(-c6ccccc6-c6ccccc6)ccc(-c6ccccc6-c6ccccc6)c3-5)c3cccc-4c23)cc1.c1ccc(-c2ccc(-c3ccc(-c4ccccc4)c4c3-c3ccc(-c5ccc6c7c(cccc57)-c5c-6c(-c6ccc(-c7ccccc7)cc6)c6cc(-c7ccccc7)c(-c7ccccc7)cc6c5-c5ccccc5)c5cccc-4c35)cc2)cc1.c1ccc2c(-c3ccc(-c4cccc5ccccc45)c4c3-c3cccc5c(-c6ccc7c8c(cccc68)-c6c-7c(-c7cccc8ccccc78)c7ccccc7c6-c6cccc7ccccc67)ccc-4c35)cccc2c1.c1ccc2cc(-c3ccc(-c4cccc5ccccc45)c4c3-c3ccc(-c5ccc6c7c(cccc57)-c5c-6c(-c6ccc7ccccc7c6)c6ccccc6c5-c5cccc6ccccc56)c5cccc-4c35)ccc2c1 |
| InChI | InChI=1S/C96H60.C84H52.2C76H44/c1-7-29-61(30-8-1)67-41-19-23-45-71(67)79-55-56-80(72-46-24-20-42-68(72)62-31-9-2-10-32-62)92-83-57-53-73(77-49-27-51-81(89(77)83)91(79)92)74-54-58-84-90-78(74)50-28-52-82(90)95-93(75-47-25-21-43-69(75)63-33-11-3-12-34-63)87-59-85(65-37-15-5-16-38-65)86(66-39-17-6-18-40-66)60-88(87)94(96(84)95)76-48-26-22-44-70(76)64-35-13-4-14-36-64;1-7-21-53(22-8-1)55-37-41-60(42-38-55)64-46-45-63(57-25-11-3-12-26-57)81-69-35-19-33-67-65(47-49-71(79(67)69)82(64)81)66-48-50-72-80-68(66)34-20-36-70(80)83-77(61-31-17-6-18-32-61)75-51-73(58-27-13-4-14-28-58)74(59-29-15-5-16-30-59)52-76(75)78(84(72)83)62-43-39-56(40-44-62)54-23-9-2-10-24-54;1-5-25-49-45(17-1)21-11-31-53(49)63-41-42-64(54-32-12-22-46-18-2-6-26-50(46)54)74-67-43-39-55(59-35-15-37-65(69(59)67)73(63)74)56-40-44-68-70-60(56)36-16-38-66(70)75-71(57-33-13-23-47-19-3-7-27-51(47)57)61-29-9-10-30-62(61)72(76(68)75)58-34-14-24-48-20-4-8-28-52(48)58;1-3-19-49-43-51(35-33-45(49)15-1)55-37-40-64(56-27-11-21-47-17-5-7-23-53(47)56)74-65-31-13-29-60-57(38-41-67(70(60)65)72(55)74)58-39-42-68-71-61(58)30-14-32-66(71)76-73(59-28-12-22-48-18-6-8-24-54(48)59)63-26-10-9-25-62(63)69(75(68)76)52-36-34-46-16-2-4-20-50(46)44-52/h1-60H;1-52H;2*1-44H |
| InChIKey | IGPINGUAUWUVTM-UHFFFAOYSA-N |
| XLogP | 93.00 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 30 |
| Heavy Atoms | 332 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4189.25 |
| LogP ≤ 5 | 93.00 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |