C326H270N2S2 — CID 160700143
5,12-bis(4-tert-butylphenyl)tetracene;2-tert-butyl-5,11-bis(4-tert-butylphenyl)-8-methyl-6,12-bis(4-phenylphenyl)tetracene;2-tert-butyl-5,6,11,12-tetrakis(4-tert-butylphenyl)-8-methyltetracene;6-methyl-2-[4-[12-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-6,11-diphenyltetracen-5-yl]phenyl]-1,3-benzothiazole;5,6,11,12-tetranaphthalen-2-yltetracene;5,6,11,12-tetraphenyltetracene (PubChem CID 160700143) has the molecular formula C326H270N2S2 and a molecular weight of 4279.89 g/mol. Its IUPAC name is 5,12-bis(4-tert-butylphenyl)tetracene;2-tert-butyl-5,11-bis(4-tert-butylphenyl)-8-methyl-6,12-bis(4-phenylphenyl)tetracene;2-tert-butyl-5,6,11,12-tetrakis(4-tert-butylphenyl)-8-methyltetracene;6-methyl-2-[4-[12-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-6,11-diphenyltetracen-5-yl]phenyl]-1,3-benzothiazole;5,6,11,12-tetranaphthalen-2-yltetracene;5,6,11,12-tetraphenyltetracene.
| Compound Name | 5,12-bis(4-tert-butylphenyl)tetracene;2-tert-butyl-5,11-bis(4-tert-butylphenyl)-8-methyl-6,12-bis(4-phenylphenyl)tetracene;2-tert-butyl-5,6,11,12-tetrakis(4-tert-butylphenyl)-8-methyltetracene;6-methyl-2-[4-[12-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-6,11-diphenyltetracen-5-yl]phenyl]-1,3-benzothiazole;5,6,11,12-tetranaphthalen-2-yltetracene;5,6,11,12-tetraphenyltetracene |
|---|---|
| PubChem CID | 160700143 |
| Molecular Formula | C326H270N2S2 |
| Molecular Weight | 4279.89 g/mol |
| Exact Mass | 4276.06 |
| IUPAC Name | 5,12-bis(4-tert-butylphenyl)tetracene;2-tert-butyl-5,11-bis(4-tert-butylphenyl)-8-methyl-6,12-bis(4-phenylphenyl)tetracene;2-tert-butyl-5,6,11,12-tetrakis(4-tert-butylphenyl)-8-methyltetracene;6-methyl-2-[4-[12-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-6,11-diphenyltetracen-5-yl]phenyl]-1,3-benzothiazole;5,6,11,12-tetranaphthalen-2-yltetracene;5,6,11,12-tetraphenyltetracene |
| SMILES | CC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc(C(C)(C)C)cc3)c3cc4ccccc4cc23)cc1.Cc1ccc2c(-c3ccc(C(C)(C)C)cc3)c3c(-c4ccc(-c5ccccc5)cc4)c4cc(C(C)(C)C)ccc4c(-c4ccc(C(C)(C)C)cc4)c3c(-c3ccc(-c4ccccc4)cc3)c2c1.Cc1ccc2c(-c3ccc(C(C)(C)C)cc3)c3c(-c4ccc(C(C)(C)C)cc4)c4cc(C(C)(C)C)ccc4c(-c4ccc(C(C)(C)C)cc4)c3c(-c3ccc(C(C)(C)C)cc3)c2c1.Cc1ccc2nc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6nc7ccc(C)cc7s6)cc5)c5c(-c6ccccc6)c6ccccc6c(-c6ccccc6)c45)cc3)sc2c1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c23)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c34)ccc2c1 |
| InChI | InChI=1S/C67H62.C63H70.C58H38N2S2.C58H36.C42H28.C38H36/c1-43-21-39-55-57(41-43)61(48-26-22-46(23-27-48)44-17-13-11-14-18-44)63-60(51-32-36-53(37-33-51)66(5,6)7)56-40-38-54(67(8,9)10)42-58(56)62(49-28-24-47(25-29-49)45-19-15-12-16-20-45)64(63)59(55)50-30-34-52(35-31-50)65(2,3)4;1-39-17-35-49-51(37-39)55(42-22-30-46(31-23-42)61(8,9)10)57-54(41-20-28-45(29-21-41)60(5,6)7)50-36-34-48(63(14,15)16)38-52(50)56(43-24-32-47(33-25-43)62(11,12)13)58(57)53(49)40-18-26-44(27-19-40)59(2,3)4;1-35-21-31-47-49(33-35)61-57(59-47)41-27-23-39(24-28-41)53-45-19-11-12-20-46(45)54(40-25-29-42(30-26-40)58-60-48-32-22-36(2)34-50(48)62-58)56-52(38-15-7-4-8-16-38)44-18-10-9-17-43(44)51(55(53)56)37-13-5-3-6-14-37;1-5-17-41-33-45(29-25-37(41)13-1)53-49-21-9-10-22-50(49)55(47-31-27-39-15-3-7-19-43(39)35-47)58-56(48-32-28-40-16-4-8-20-44(40)36-48)52-24-12-11-23-51(52)54(57(53)58)46-30-26-38-14-2-6-18-42(38)34-46;1-5-17-29(18-6-1)37-33-25-13-14-26-34(33)39(31-21-9-3-10-22-31)42-40(32-23-11-4-12-24-32)36-28-16-15-27-35(36)38(41(37)42)30-19-7-2-8-20-30;1-37(2,3)29-19-15-25(16-20-29)35-31-13-9-10-14-32(31)36(26-17-21-30(22-18-26)38(4,5)6)34-24-28-12-8-7-11-27(28)23-33(34)35/h11-42H,1-10H3;17-38H,1-16H3;3-34H,1-2H3;1-36H;1-28H;7-24H,1-6H3 |
| InChIKey | RQMYLMRDGZSCIJ-UHFFFAOYSA-N |
| XLogP | 94.26 |
| TPSA | 25.78 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 330 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4279.89 |
| LogP ≤ 5 | 94.26 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |