C371H284 — CID 157376156
9,10-bis(9,9-dimethylfluoren-2-yl)-2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]anthracene;9,10-bis(9,9-dimethylfluoren-2-yl)-2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]anthracene;9,10-bis(9,9-dimethylfluoren-2-yl)-2-(4-methylphenyl)anthracene;9,10-bis(4-phenylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;methane;2-(4-naphthalen-1-ylphenyl)-9,10-bis(4-phenylphenyl)anthracene;2-(2,3,4,5,6-pentadeuteriophenyl)-9,10-bis(4-phenylphenyl)anthracene (PubChem CID 157376156) has the molecular formula C371H284 and a molecular weight of 4747.38 g/mol. Its IUPAC name is 9,10-bis(9,9-dimethylfluoren-2-yl)-2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]anthracene;9,10-bis(9,9-dimethylfluoren-2-yl)-2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]anthracene;9,10-bis(9,9-dimethylfluoren-2-yl)-2-(4-methylphenyl)anthracene;9,10-bis(4-phenylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;methane;2-(4-naphthalen-1-ylphenyl)-9,10-bis(4-phenylphenyl)anthracene;2-(2,3,4,5,6-pentadeuteriophenyl)-9,10-bis(4-phenylphenyl)anthracene.
| Compound Name | 9,10-bis(9,9-dimethylfluoren-2-yl)-2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]anthracene;9,10-bis(9,9-dimethylfluoren-2-yl)-2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]anthracene;9,10-bis(9,9-dimethylfluoren-2-yl)-2-(4-methylphenyl)anthracene;9,10-bis(4-phenylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;methane;2-(4-naphthalen-1-ylphenyl)-9,10-bis(4-phenylphenyl)anthracene;2-(2,3,4,5,6-pentadeuteriophenyl)-9,10-bis(4-phenylphenyl)anthracene |
|---|---|
| PubChem CID | 157376156 |
| Molecular Formula | C371H284 |
| Molecular Weight | 4747.38 g/mol |
| Exact Mass | 4743.25 |
| IUPAC Name | 9,10-bis(9,9-dimethylfluoren-2-yl)-2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]anthracene;9,10-bis(9,9-dimethylfluoren-2-yl)-2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]anthracene;9,10-bis(9,9-dimethylfluoren-2-yl)-2-(4-methylphenyl)anthracene;9,10-bis(4-phenylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;methane;2-(4-naphthalen-1-ylphenyl)-9,10-bis(4-phenylphenyl)anthracene;2-(2,3,4,5,6-pentadeuteriophenyl)-9,10-bis(4-phenylphenyl)anthracene |
| SMILES | C.C.C.C.C.C.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6c(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)c7ccccc7c(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)c6c5)cc4)c4ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccccc6c(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c5c4)c4ccccc34)cc21.Cc1ccc(-c2ccc3c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3c2)cc1.[2H]c1c([2H])c([2H])c(-c2ccc3c(-c4ccc(-c5ccccc5)cc4)c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c3c2)c([2H])c1[2H].c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4cc(-c5ccc(-c6cccc7ccccc67)cc5)ccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c(-c6ccc(-c7ccccc7)cc6)c6ccccc6c(-c6ccc(-c7ccccc7)cc6)c5c4)c4ccccc34)cc2)cc1 |
| InChI | InChI=1S/C79H58.C73H54.C64H42.C54H36.C51H40.C44H30.6CH4/c1-77(2)67-28-16-13-19-53(67)56-39-36-50(44-70(56)77)74-61-24-9-7-22-59(61)73(60-23-8-10-25-62(60)74)48-33-31-47(32-34-48)49-35-42-65-66(43-49)76(52-38-41-58-55-21-15-18-30-69(55)79(5,6)72(58)46-52)64-27-12-11-26-63(64)75(65)51-37-40-57-54-20-14-17-29-68(54)78(3,4)71(57)45-51;1-71(2)61-28-16-13-19-47(61)50-35-31-44(40-64(50)71)68-55-24-9-7-22-53(55)67(54-23-8-10-25-56(54)68)43-34-38-59-60(39-43)70(46-33-37-52-49-21-15-18-30-63(49)73(5,6)66(52)42-46)58-27-12-11-26-57(58)69(59)45-32-36-51-48-20-14-17-29-62(48)72(3,4)65(51)41-45;1-4-16-43(17-5-1)46-28-34-49(35-29-46)61-54-23-11-14-26-57(54)64(58-27-15-12-24-55(58)61)52-40-41-59-60(42-52)63(51-38-32-48(33-39-51)45-20-8-3-9-21-45)56-25-13-10-22-53(56)62(59)50-36-30-47(31-37-50)44-18-6-2-7-19-44;1-3-12-37(13-4-1)39-24-30-44(31-25-39)53-49-19-9-10-20-50(49)54(45-32-26-40(27-33-45)38-14-5-2-6-15-38)52-36-46(34-35-51(52)53)41-22-28-43(29-23-41)48-21-11-17-42-16-7-8-18-47(42)48;1-31-18-20-32(21-19-31)33-22-27-42-43(28-33)49(35-24-26-39-37-13-9-11-17-45(37)51(4,5)47(39)30-35)41-15-7-6-14-40(41)48(42)34-23-25-38-36-12-8-10-16-44(36)50(2,3)46(38)29-34;1-4-12-31(13-5-1)34-20-24-36(25-21-34)43-39-18-10-11-19-40(39)44(37-26-22-35(23-27-37)32-14-6-2-7-15-32)42-30-38(28-29-41(42)43)33-16-8-3-9-17-33;;;;;;/h7-46H,1-6H3;7-42H,1-6H3;1-42H;1-36H;6-30H,1-5H3;1-30H;6*1H4/i;;;;;3D,8D,9D,16D,17D;;;;;; |
| InChIKey | BKISZOXFCIRVLR-LWLYHYRJSA-N |
| XLogP | 104.62 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 30 |
| Heavy Atoms | 371 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4747.38 |
| LogP ≤ 5 | 104.62 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |