C318H204 — CID 160963930
2-[4-[3-tert-butyl-10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]pyrene;2-[4-(5,7-diphenylnaphthalen-2-yl)phenyl]pyrene;2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]pyrene;2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]pyrene;2-(3,5-diphenylphenyl)-7-pyren-2-ylpyrene;2-[2,3,5,6-tetradeuterio-4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]pyrene (PubChem CID 160963930) has the molecular formula C318H204 and a molecular weight of 4029.15 g/mol. Its IUPAC name is 2-[4-[3-tert-butyl-10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]pyrene;2-[4-(5,7-diphenylnaphthalen-2-yl)phenyl]pyrene;2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]pyrene;2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]pyrene;2-(3,5-diphenylphenyl)-7-pyren-2-ylpyrene;2-[2,3,5,6-tetradeuterio-4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]pyrene.
| Compound Name | 2-[4-[3-tert-butyl-10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]pyrene;2-[4-(5,7-diphenylnaphthalen-2-yl)phenyl]pyrene;2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]pyrene;2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]pyrene;2-(3,5-diphenylphenyl)-7-pyren-2-ylpyrene;2-[2,3,5,6-tetradeuterio-4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]pyrene |
|---|---|
| PubChem CID | 160963930 |
| Molecular Formula | C318H204 |
| Molecular Weight | 4029.15 g/mol |
| Exact Mass | 4025.62 |
| IUPAC Name | 2-[4-[3-tert-butyl-10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]pyrene;2-[4-(5,7-diphenylnaphthalen-2-yl)phenyl]pyrene;2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]pyrene;2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]pyrene;2-(3,5-diphenylphenyl)-7-pyren-2-ylpyrene;2-[2,3,5,6-tetradeuterio-4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]pyrene |
| SMILES | CC(C)(C)c1ccc2c(-c3ccc(-c4cc5ccc6cccc7ccc(c4)c5c67)cc3)c3ccccc3c(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2c1.[2H]c1c([2H])c(-c2c3ccccc3c(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccccc23)c([2H])c([2H])c1-c1cc2ccc3cccc4ccc(c1)c2c34.c1ccc(-c2cc(-c3ccccc3)c3ccc(-c4ccc(-c5cc6ccc7cccc8ccc(c5)c6c78)cc4)cc3c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4ccc(-c5cc6ccc7cccc8ccc(c5)c6c78)c5ccccc45)c4ccccc34)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4ccc(-c5cc6ccc7cccc8ccc(c5)c6c78)cc4)c4ccccc34)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cc4ccc5cc(-c6cc7ccc8cccc9ccc(c6)c7c89)cc6ccc(c3)c4c56)c2)cc1 |
| InChI | InChI=1S/C58H36.C58H42.2C54H34.C50H30.C44H28/c1-3-14-37(15-4-1)43-34-44(38-16-5-2-6-17-38)36-46(35-43)57-50-22-9-11-24-52(50)58(53-25-12-10-23-51(53)57)54-31-30-47(48-20-7-8-21-49(48)54)45-32-41-28-26-39-18-13-19-40-27-29-42(33-45)56(41)55(39)40;1-58(2,3)49-29-30-52-53(36-49)57(48-34-46(37-13-6-4-7-14-37)33-47(35-48)38-15-8-5-9-16-38)51-20-11-10-19-50(51)56(52)42-23-21-39(22-24-42)45-31-43-27-25-40-17-12-18-41-26-28-44(32-45)55(43)54(40)41;2*1-3-12-35(13-4-1)44-32-45(36-14-5-2-6-15-36)34-46(33-44)54-49-20-9-7-18-47(49)53(48-19-8-10-21-50(48)54)40-24-22-37(23-25-40)43-30-41-28-26-38-16-11-17-39-27-29-42(31-43)52(41)51(38)39;1-3-8-31(9-4-1)41-28-42(32-10-5-2-6-11-32)30-46(29-41)45-26-39-20-18-37-24-44(25-38-19-21-40(27-45)50(39)49(37)38)43-22-35-16-14-33-12-7-13-34-15-17-36(23-43)48(35)47(33)34;1-3-8-29(9-4-1)39-27-40-24-35(22-23-41(40)42(28-39)32-10-5-2-6-11-32)30-14-16-31(17-15-30)38-25-36-20-18-33-12-7-13-34-19-21-37(26-38)44(36)43(33)34/h1-36H;4-36H,1-3H3;2*1-34H;1-30H;1-28H/i;;22D,23D,24D,25D;;; |
| InChIKey | SXJFIKHHCSBEMF-TVENNOOBSA-N |
| XLogP | 89.91 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 28 |
| Heavy Atoms | 318 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4029.15 |
| LogP ≤ 5 | 89.91 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |