C318H212 — CID 159977577
9,10-bis(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene;9,10-diphenyl-2-(2-phenylphenyl)anthracene;2-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene;2-(2-phenylphenyl)-9,10-bis(4-phenylphenyl)anthracene;9-[2-(2-phenylphenyl)phenyl]-10-[10-[2-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene (PubChem CID 159977577) has the molecular formula C318H212 and a molecular weight of 4033.19 g/mol. Its IUPAC name is 9,10-bis(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene;9,10-diphenyl-2-(2-phenylphenyl)anthracene;2-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene;2-(2-phenylphenyl)-9,10-bis(4-phenylphenyl)anthracene;9-[2-(2-phenylphenyl)phenyl]-10-[10-[2-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene.
| Compound Name | 9,10-bis(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene;9,10-diphenyl-2-(2-phenylphenyl)anthracene;2-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene;2-(2-phenylphenyl)-9,10-bis(4-phenylphenyl)anthracene;9-[2-(2-phenylphenyl)phenyl]-10-[10-[2-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene |
|---|---|
| PubChem CID | 159977577 |
| Molecular Formula | C318H212 |
| Molecular Weight | 4033.19 g/mol |
| Exact Mass | 4029.66 |
| IUPAC Name | 9,10-bis(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene;9,10-diphenyl-2-(2-phenylphenyl)anthracene;2-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene;2-(2-phenylphenyl)-9,10-bis(4-phenylphenyl)anthracene;9-[2-(2-phenylphenyl)phenyl]-10-[10-[2-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene |
| SMILES | c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4cc(-c5ccccc5-c5ccccc5)ccc34)cc2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)c4)c4cc(-c5ccccc5-c5ccccc5)ccc34)c2)cc1.c1ccc(-c2ccccc2-c2ccc3c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c3c2)cc1.c1ccc(-c2ccccc2-c2ccc3c(-c4cccc(-c5cccc6ccccc56)c4)c4ccccc4c(-c4cccc(-c5cccc6ccccc56)c4)c3c2)cc1.c1ccc(-c2ccccc2-c2ccc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3c2)cc1.c1ccc(-c2ccccc2-c2ccccc2-c2c3ccccc3c(-c3c4ccccc4c(-c4ccccc4-c4ccccc4-c4ccccc4)c4ccccc34)c3ccccc23)cc1 |
| InChI | InChI=1S/C64H42.2C58H38.2C50H34.C38H26/c1-3-23-43(24-4-1)45-27-7-9-29-47(45)49-31-11-13-33-51(49)61-53-35-15-19-39-57(53)63(58-40-20-16-36-54(58)61)64-59-41-21-17-37-55(59)62(56-38-18-22-42-60(56)64)52-34-14-12-32-50(52)48-30-10-8-28-46(48)44-25-5-2-6-26-44;1-2-16-39(17-3-1)47-28-8-9-29-50(47)44-34-35-55-56(38-44)58(46-25-13-23-43(37-46)52-33-15-21-41-19-5-7-27-49(41)52)54-31-11-10-30-53(54)57(55)45-24-12-22-42(36-45)51-32-14-20-40-18-4-6-26-48(40)51;1-2-14-39(15-3-1)49-22-8-9-23-52(49)46-36-37-55-56(38-46)58(45-34-30-43(31-35-45)51-27-13-19-41-17-5-7-21-48(41)51)54-25-11-10-24-53(54)57(55)44-32-28-42(29-33-44)50-26-12-18-40-16-4-6-20-47(40)50;1-4-16-35(17-5-1)38-22-14-24-41(32-38)49-45-28-12-13-29-46(45)50(42-25-15-23-39(33-42)36-18-6-2-7-19-36)48-34-40(30-31-47(48)49)44-27-11-10-26-43(44)37-20-8-3-9-21-37;1-4-14-35(15-5-1)37-24-28-40(29-25-37)49-45-22-12-13-23-46(45)50(41-30-26-38(27-31-41)36-16-6-2-7-17-36)48-34-42(32-33-47(48)49)44-21-11-10-20-43(44)39-18-8-3-9-19-39;1-4-14-27(15-5-1)31-20-10-11-21-32(31)30-24-25-35-36(26-30)38(29-18-8-3-9-19-29)34-23-13-12-22-33(34)37(35)28-16-6-2-7-17-28/h1-42H;2*1-38H;2*1-34H;1-26H |
| InChIKey | OFIUDKZNBSRXGE-UHFFFAOYSA-N |
| XLogP | 89.22 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 35 |
| Heavy Atoms | 318 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4033.19 |
| LogP ≤ 5 | 89.22 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |