C324H206 — CID 158141670
2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]triphenylene;2-[4-(9,10-diphenylanthracen-2-yl)naphthalen-1-yl]triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene;bis(2-(9,10-diphenylanthracen-2-yl)triphenylene) (PubChem CID 158141670) has the molecular formula C324H206 and a molecular weight of 4099.21 g/mol. Its IUPAC name is 2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]triphenylene;2-[4-(9,10-diphenylanthracen-2-yl)naphthalen-1-yl]triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene;bis(2-(9,10-diphenylanthracen-2-yl)triphenylene).
| Compound Name | 2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]triphenylene;2-[4-(9,10-diphenylanthracen-2-yl)naphthalen-1-yl]triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene;bis(2-(9,10-diphenylanthracen-2-yl)triphenylene) |
|---|---|
| PubChem CID | 158141670 |
| Molecular Formula | C324H206 |
| Molecular Weight | 4099.21 g/mol |
| Exact Mass | 4095.61 |
| IUPAC Name | 2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]triphenylene;2-[4-(9,10-diphenylanthracen-2-yl)naphthalen-1-yl]triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene;bis(2-(9,10-diphenylanthracen-2-yl)triphenylene) |
| SMILES | c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc(-c5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5)cc4)ccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c5ccccc45)ccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc5c6ccc(-c7ccc8c(-c9ccccc9)c9ccccc9c(-c9ccccc9)c8c7)cc6c6ccccc6c5c4)ccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)ccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)ccc23)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)ccc34)cc2)cc1 |
| InChI | InChI=1S/C70H44.2C56H36.C54H34.2C44H28/c1-5-19-45(20-6-1)67-57-29-15-17-31-59(57)69(47-23-9-3-10-24-47)65-43-51(35-39-61(65)67)49-33-37-55-56-38-34-50(42-64(56)54-28-14-13-27-53(54)63(55)41-49)52-36-40-62-66(44-52)70(48-25-11-4-12-26-48)60-32-18-16-30-58(60)68(62)46-21-7-2-8-22-46;1-3-13-41(14-4-1)55-50-21-11-12-22-51(50)56(42-15-5-2-6-16-42)54-36-44(32-34-52(54)55)40-29-25-38(26-30-40)37-23-27-39(28-24-37)43-31-33-49-47-19-8-7-17-45(47)46-18-9-10-20-48(46)53(49)35-43;1-3-13-37(14-4-1)39-23-27-41(28-24-39)55-50-21-11-12-22-51(50)56(42-29-25-40(26-30-42)38-15-5-2-6-16-38)54-36-44(32-34-52(54)55)43-31-33-49-47-19-8-7-17-45(47)46-18-9-10-20-48(46)53(49)35-43;1-3-15-35(16-4-1)53-48-25-13-14-26-49(48)54(36-17-5-2-6-18-36)52-34-38(28-30-50(52)53)40-32-31-39(41-19-7-8-20-42(40)41)37-27-29-47-45-23-10-9-21-43(45)44-22-11-12-24-46(44)51(47)33-37;2*1-3-13-29(14-4-1)43-38-21-11-12-22-39(38)44(30-15-5-2-6-16-30)42-28-32(24-26-40(42)43)31-23-25-37-35-19-8-7-17-33(35)34-18-9-10-20-36(34)41(37)27-31/h1-44H;2*1-36H;1-34H;2*1-28H |
| InChIKey | FUACBQXJMAZENQ-UHFFFAOYSA-N |
| XLogP | 91.52 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 26 |
| Heavy Atoms | 324 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4099.21 |
| LogP ≤ 5 | 91.52 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |