C328H236 — CID 160870515
9,10-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylanthracene;9,10-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene;9,10-bis(9,9-dimethylfluoren-2-yl)-2-phenylanthracene;2-tert-butyl-9,10-bis(9,9-dimethylfluoren-2-yl)anthracene;9,10-dinaphthalen-1-yl-2-(10-phenanthren-9-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-1-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene (PubChem CID 160870515) has the molecular formula C328H236 and a molecular weight of 4177.50 g/mol. Its IUPAC name is 9,10-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylanthracene;9,10-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene;9,10-bis(9,9-dimethylfluoren-2-yl)-2-phenylanthracene;2-tert-butyl-9,10-bis(9,9-dimethylfluoren-2-yl)anthracene;9,10-dinaphthalen-1-yl-2-(10-phenanthren-9-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-1-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene.
| Compound Name | 9,10-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylanthracene;9,10-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene;9,10-bis(9,9-dimethylfluoren-2-yl)-2-phenylanthracene;2-tert-butyl-9,10-bis(9,9-dimethylfluoren-2-yl)anthracene;9,10-dinaphthalen-1-yl-2-(10-phenanthren-9-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-1-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene |
|---|---|
| PubChem CID | 160870515 |
| Molecular Formula | C328H236 |
| Molecular Weight | 4177.50 g/mol |
| Exact Mass | 4173.85 |
| IUPAC Name | 9,10-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylanthracene;9,10-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene;9,10-bis(9,9-dimethylfluoren-2-yl)-2-phenylanthracene;2-tert-butyl-9,10-bis(9,9-dimethylfluoren-2-yl)anthracene;9,10-dinaphthalen-1-yl-2-(10-phenanthren-9-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-1-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene |
| SMILES | CC(C)(C)c1ccc2c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2c1.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5ccc6ccccc6c5)ccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5cccc6ccccc56)ccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5ccccc5)ccc34)cc21.c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(-c6cccc7ccccc67)c6ccccc6c(-c6cccc7ccccc67)c5c4)cc3)c3ccccc23)cc1.c1ccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4cc(-c5c6ccccc6c(-c6cc7ccccc7c7ccccc67)c6ccccc56)ccc34)cccc2c1 |
| InChI | InChI=1S/C62H38.C60H38.2C54H40.C50H38.C48H42/c1-4-22-43-39(17-1)20-15-33-48(43)60-54-31-13-14-32-55(54)61(49-34-16-21-40-18-2-5-23-44(40)49)58-38-42(35-36-56(58)60)59-50-27-9-11-29-52(50)62(53-30-12-10-28-51(53)59)57-37-41-19-3-6-24-45(41)46-25-7-8-26-47(46)57;1-2-18-42(19-3-1)57-49-24-8-10-26-51(49)58(52-27-11-9-25-50(52)57)43-34-32-39(33-35-43)44-36-37-55-56(38-44)60(48-31-15-21-41-17-5-7-23-46(41)48)54-29-13-12-28-53(54)59(55)47-30-14-20-40-16-4-6-22-45(40)47;1-53(2)47-22-11-9-17-39(47)41-27-25-35(31-49(41)53)51-43-19-7-8-20-44(43)52(36-26-28-42-40-18-10-12-23-48(40)54(3,4)50(42)32-36)46-30-34(24-29-45(46)51)38-21-13-15-33-14-5-6-16-37(33)38;1-53(2)47-19-11-9-15-39(47)41-26-24-37(31-49(41)53)51-43-17-7-8-18-44(43)52(38-25-27-42-40-16-10-12-20-48(40)54(3,4)50(42)32-38)46-30-36(23-28-45(46)51)35-22-21-33-13-5-6-14-34(33)29-35;1-49(2)43-20-12-10-16-35(43)37-25-23-33(29-45(37)49)47-39-18-8-9-19-40(39)48(42-28-32(22-27-41(42)47)31-14-6-5-7-15-31)34-24-26-38-36-17-11-13-21-44(36)50(3,4)46(38)30-34;1-46(2,3)31-22-25-38-39(28-31)45(30-21-24-35-33-15-11-13-19-41(33)48(6,7)43(35)27-30)37-17-9-8-16-36(37)44(38)29-20-23-34-32-14-10-12-18-40(32)47(4,5)42(34)26-29/h1-38H;1-38H;2*5-32H,1-4H3;5-30H,1-4H3;8-28H,1-7H3 |
| InChIKey | SLRPYRRITOSLCY-UHFFFAOYSA-N |
| XLogP | 90.88 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 20 |
| Heavy Atoms | 328 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4177.50 |
| LogP ≤ 5 | 90.88 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |