C358H242N4 — CID 161312695
9,10-bis(9,9-dimethylfluoren-2-yl)anthracene;9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene;9,10-bis[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]anthracene;9,10-bis(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;6-(10-chrysen-6-ylanthracen-9-yl)chrysene;9-methyl-3-[10-(9-methylcarbazol-3-yl)anthracen-9-yl]carbazole;9-phenyl-3-[10-(9-phenylcarbazol-3-yl)anthracen-9-yl]carbazole (PubChem CID 161312695) has the molecular formula C358H242N4 and a molecular weight of 4599.90 g/mol. Its IUPAC name is 9,10-bis(9,9-dimethylfluoren-2-yl)anthracene;9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene;9,10-bis[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]anthracene;9,10-bis(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;6-(10-chrysen-6-ylanthracen-9-yl)chrysene;9-methyl-3-[10-(9-methylcarbazol-3-yl)anthracen-9-yl]carbazole;9-phenyl-3-[10-(9-phenylcarbazol-3-yl)anthracen-9-yl]carbazole.
| Compound Name | 9,10-bis(9,9-dimethylfluoren-2-yl)anthracene;9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene;9,10-bis[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]anthracene;9,10-bis(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;6-(10-chrysen-6-ylanthracen-9-yl)chrysene;9-methyl-3-[10-(9-methylcarbazol-3-yl)anthracen-9-yl]carbazole;9-phenyl-3-[10-(9-phenylcarbazol-3-yl)anthracen-9-yl]carbazole |
|---|---|
| PubChem CID | 161312695 |
| Molecular Formula | C358H242N4 |
| Molecular Weight | 4599.90 g/mol |
| Exact Mass | 4595.91 |
| IUPAC Name | 9,10-bis(9,9-dimethylfluoren-2-yl)anthracene;9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene;9,10-bis[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]anthracene;9,10-bis(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;6-(10-chrysen-6-ylanthracen-9-yl)chrysene;9-methyl-3-[10-(9-methylcarbazol-3-yl)anthracen-9-yl]carbazole;9-phenyl-3-[10-(9-phenylcarbazol-3-yl)anthracen-9-yl]carbazole |
| SMILES | C(=C(c1ccccc1)c1ccccc1)c1ccc(-c2c3ccccc3c(-c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)c3ccccc23)cc1.C(=C(c1ccccc1)c1ccccc1)c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc(C=C(c6ccccc6)c6ccccc6)cc5)cc4)c4ccccc34)cc2)cc1.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc34)cc21.Cn1c2ccccc2c2cc(-c3c4ccccc4c(-c4ccc5c(c4)c4ccccc4n5C)c4ccccc34)ccc21.c1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5ccccc45)ccc32)cc1.c1ccc2c(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6cccc7ccccc67)c6ccccc56)c5ccccc45)c4ccccc34)cccc2c1.c1ccc2c(c1)ccc1c3ccccc3c(-c3c4ccccc4c(-c4cc5c6ccccc6ccc5c5ccccc45)c4ccccc34)cc21 |
| InChI | InChI=1S/C66H46.C54H34.C54H38.C50H32N2.C50H30.C44H34.C40H28N2/c1-5-17-53(18-6-1)63(54-19-7-2-8-20-54)45-47-29-33-49(34-30-47)51-37-41-57(42-38-51)65-59-25-13-15-27-61(59)66(62-28-16-14-26-60(62)65)58-43-39-52(40-44-58)50-35-31-48(32-36-50)46-64(55-21-9-3-10-22-55)56-23-11-4-12-24-56;1-3-19-37-35(15-1)17-13-29-39(37)45-31-33-51(43-23-7-5-21-41(43)45)53-47-25-9-11-27-49(47)54(50-28-12-10-26-48(50)53)52-34-32-46(42-22-6-8-24-44(42)52)40-30-14-18-36-16-2-4-20-38(36)40;1-5-17-41(18-6-1)51(42-19-7-2-8-20-42)37-39-29-33-45(34-30-39)53-47-25-13-15-27-49(47)54(50-28-16-14-26-48(50)53)46-35-31-40(32-36-46)38-52(43-21-9-3-10-22-43)44-23-11-4-12-24-44;1-3-15-35(16-4-1)51-45-25-13-11-19-37(45)43-31-33(27-29-47(43)51)49-39-21-7-9-23-41(39)50(42-24-10-8-22-40(42)49)34-28-30-48-44(32-34)38-20-12-14-26-46(38)52(48)36-17-5-2-6-18-36;1-3-15-33-31(13-1)25-27-39-35-17-5-7-19-37(35)47(29-45(33)39)49-41-21-9-11-23-43(41)50(44-24-12-10-22-42(44)49)48-30-46-34-16-4-2-14-32(34)26-28-40(46)36-18-6-8-20-38(36)48;1-43(2)37-19-11-9-13-29(37)31-23-21-27(25-39(31)43)41-33-15-5-7-17-35(33)42(36-18-8-6-16-34(36)41)28-22-24-32-30-14-10-12-20-38(30)44(3,4)40(32)26-28;1-41-35-17-9-7-11-27(35)33-23-25(19-21-37(33)41)39-29-13-3-5-15-31(29)40(32-16-6-4-14-30(32)39)26-20-22-38-34(24-26)28-12-8-10-18-36(28)42(38)2/h1-46H;1-34H;1-38H;1-32H;1-30H;5-26H,1-4H3;3-24H,1-2H3 |
| InChIKey | VJCFQGIRFAFYDX-UHFFFAOYSA-N |
| XLogP | 97.94 |
| TPSA | 19.72 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 362 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4599.90 |
| LogP ≤ 5 | 97.94 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |