C337H234 — CID 159207941
9,10-bis(9,9-dimethylfluoren-2-yl)-2-(10-phenanthren-9-ylanthracen-9-yl)anthracene;9,10-bis(9,9-dimethylfluoren-2-yl)-2-(4-phenylnaphthalen-1-yl)anthracene;2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-1-yl-9,10-bis(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene;2-(4-phenylnaphthalen-1-yl)-9,10-bis(4-phenylphenyl)anthracene (PubChem CID 159207941) has the molecular formula C337H234 and a molecular weight of 4283.58 g/mol. Its IUPAC name is 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(10-phenanthren-9-ylanthracen-9-yl)anthracene;9,10-bis(9,9-dimethylfluoren-2-yl)-2-(4-phenylnaphthalen-1-yl)anthracene;2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-1-yl-9,10-bis(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene;2-(4-phenylnaphthalen-1-yl)-9,10-bis(4-phenylphenyl)anthracene.
| Compound Name | 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(10-phenanthren-9-ylanthracen-9-yl)anthracene;9,10-bis(9,9-dimethylfluoren-2-yl)-2-(4-phenylnaphthalen-1-yl)anthracene;2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-1-yl-9,10-bis(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene;2-(4-phenylnaphthalen-1-yl)-9,10-bis(4-phenylphenyl)anthracene |
|---|---|
| PubChem CID | 159207941 |
| Molecular Formula | C337H234 |
| Molecular Weight | 4283.58 g/mol |
| Exact Mass | 4279.83 |
| IUPAC Name | 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(10-phenanthren-9-ylanthracen-9-yl)anthracene;9,10-bis(9,9-dimethylfluoren-2-yl)-2-(4-phenylnaphthalen-1-yl)anthracene;2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-1-yl-9,10-bis(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene;2-(4-phenylnaphthalen-1-yl)-9,10-bis(4-phenylphenyl)anthracene |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5c6ccccc6c(-c6cc7ccccc7c7ccccc67)c6ccccc56)ccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5ccc(-c6ccccc6)c6ccccc56)ccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(-c6ccc(-c7ccccc7)cc6)c6ccccc6c(-c6ccc(-c7ccccc7)cc6)c5c4)cc3)cc21.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4cc(-c5ccc(-c6ccccc6)c6ccccc56)ccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4cc(-c5cccc6ccccc56)ccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4cc(-c5ccccc5)ccc34)cc2)cc1 |
| InChI | InChI=1S/C72H50.C60H44.C59H42.C54H36.C48H32.C44H30/c1-71(2)63-31-17-15-23-50(63)52-36-33-45(41-65(52)71)68-54-25-9-10-26-55(54)69(46-34-37-53-51-24-16-18-32-64(51)72(3,4)66(53)42-46)62-40-44(35-38-60(62)68)67-56-27-11-13-29-58(56)70(59-30-14-12-28-57(59)67)61-39-43-19-5-6-20-47(43)48-21-7-8-22-49(48)61;1-59(2)53-24-14-12-20-45(53)47-29-27-39(35-55(47)59)57-49-22-10-11-23-50(49)58(40-28-30-48-46-21-13-15-25-54(46)60(3,4)56(48)36-40)52-34-38(26-31-51(52)57)42-33-32-41(37-16-6-5-7-17-37)43-18-8-9-19-44(42)43;1-59(2)55-20-12-11-17-49(55)50-35-33-48(38-56(50)59)44-23-21-43(22-24-44)47-34-36-53-54(37-47)58(46-31-27-42(28-32-46)40-15-7-4-8-16-40)52-19-10-9-18-51(52)57(53)45-29-25-41(26-30-45)39-13-5-3-6-14-39;1-4-14-37(15-5-1)39-24-28-42(29-25-39)53-49-22-12-13-23-50(49)54(43-30-26-40(27-31-43)38-16-6-2-7-17-38)52-36-44(32-33-51(52)53)46-35-34-45(41-18-8-3-9-19-41)47-20-10-11-21-48(46)47;1-3-12-33(13-4-1)35-22-26-38(27-23-35)47-43-19-9-10-20-44(43)48(39-28-24-36(25-29-39)34-14-5-2-6-15-34)46-32-40(30-31-45(46)47)42-21-11-17-37-16-7-8-18-41(37)42;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/h5-42H,1-4H3;5-36H,1-4H3;3-38H,1-2H3;1-36H;1-32H;1-30H |
| InChIKey | KQCSVAUPGHNHGL-UHFFFAOYSA-N |
| XLogP | 93.57 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 30 |
| Heavy Atoms | 337 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4283.58 |
| LogP ≤ 5 | 93.57 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |