C274H170 — CID 161027167
7,8,9,10-tetraphenyl-3-[10-(7,8,9,10-tetraphenylfluoranthen-3-yl)anthracen-9-yl]fluoranthene;7,8,9,10-tetraphenyl-3-[4-(7,8,9,10-tetraphenylfluoranthen-3-yl)naphthalen-1-yl]fluoranthene;7,8,9,10-tetraphenyl-3-[6-(7,8,9,10-tetraphenylfluoranthen-3-yl)naphthalen-2-yl]fluoranthene (PubChem CID 161027167) has the molecular formula C274H170 and a molecular weight of 3462.37 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-[4-(7,8,9,10-tetraphenylfluoranthen-3-yl)naphthalen-1-yl]fluoranthene;7,8,9,10-tetraphenyl-3-[6-(7,8,9,10-tetraphenylfluoranthen-3-yl)naphthalen-2-yl]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-[4-(7,8,9,10-tetraphenylfluoranthen-3-yl)naphthalen-1-yl]fluoranthene;7,8,9,10-tetraphenyl-3-[6-(7,8,9,10-tetraphenylfluoranthen-3-yl)naphthalen-2-yl]fluoranthene |
|---|---|
| PubChem CID | 161027167 |
| Molecular Formula | C274H170 |
| Molecular Weight | 3462.37 g/mol |
| Exact Mass | 3459.33 |
| 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-[4-(7,8,9,10-tetraphenylfluoranthen-3-yl)naphthalen-1-yl]fluoranthene;7,8,9,10-tetraphenyl-3-[6-(7,8,9,10-tetraphenylfluoranthen-3-yl)naphthalen-2-yl]fluoranthene |
| SMILES | 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)-c2cccc4c(-c5ccc(-c6ccc7c8c(cccc68)-c6c(-c8ccccc8)c(-c8ccccc8)c(-c8ccccc8)c(-c8ccccc8)c6-7)c6ccccc56)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 |
| InChI | InChI=1S/C94H58.2C90H56/c1-9-31-59(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;1-9-27-57(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;1-9-29-57(30-10-1)77-79(59-33-13-3-14-34-59)83(63-41-21-7-22-42-63)89-75-55-53-69(71-47-27-49-73(85(71)75)87(89)81(77)61-37-17-5-18-38-61)67-51-52-68(66-46-26-25-45-65(66)67)70-54-56-76-86-72(70)48-28-50-74(86)88-82(62-39-19-6-20-40-62)78(58-31-11-2-12-32-58)80(60-35-15-4-16-36-60)84(90(76)88)64-43-23-8-24-44-64/h1-58H;2*1-56H |
| InChIKey | TZDGHNAZTSFTPY-UHFFFAOYSA-N |
| XLogP | 76.49 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 30 |
| Heavy Atoms | 274 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3462.37 |
| LogP ≤ 5 | 76.49 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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