C333H218 — CID 160908060
2-(9,9-dimethylfluoren-2-yl)-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-yl-2-phenanthren-9-ylanthracene;9,10-diphenyl-2-(4-phenylphenyl)anthracene;9,10-diphenyl-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;2-(10-naphthalen-1-ylanthracen-9-yl)-9,10-diphenylanthracene;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,10-diphenylanthracene;2-phenanthren-9-yl-9,10-diphenylanthracene (PubChem CID 160908060) has the molecular formula C333H218 and a molecular weight of 4219.41 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-2-yl)-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-yl-2-phenanthren-9-ylanthracene;9,10-diphenyl-2-(4-phenylphenyl)anthracene;9,10-diphenyl-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;2-(10-naphthalen-1-ylanthracen-9-yl)-9,10-diphenylanthracene;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,10-diphenylanthracene;2-phenanthren-9-yl-9,10-diphenylanthracene.
| Compound Name | 2-(9,9-dimethylfluoren-2-yl)-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-yl-2-phenanthren-9-ylanthracene;9,10-diphenyl-2-(4-phenylphenyl)anthracene;9,10-diphenyl-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;2-(10-naphthalen-1-ylanthracen-9-yl)-9,10-diphenylanthracene;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,10-diphenylanthracene;2-phenanthren-9-yl-9,10-diphenylanthracene |
|---|---|
| PubChem CID | 160908060 |
| Molecular Formula | C333H218 |
| Molecular Weight | 4219.41 g/mol |
| Exact Mass | 4215.71 |
| IUPAC Name | 2-(9,9-dimethylfluoren-2-yl)-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-yl-2-phenanthren-9-ylanthracene;9,10-diphenyl-2-(4-phenylphenyl)anthracene;9,10-diphenyl-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;2-(10-naphthalen-1-ylanthracen-9-yl)-9,10-diphenylanthracene;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,10-diphenylanthracene;2-phenanthren-9-yl-9,10-diphenylanthracene |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc21.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)ccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cc5ccccc5c5ccccc45)ccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)cc4)ccc23)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c(-c6ccccc6)c6ccccc6c(-c6ccccc6)c5c4)c4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)cc2)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5cc6ccccc6c6ccccc56)ccc34)ccc2c1 |
| InChI | InChI=1S/C56H36.C52H34.C50H32.C49H34.C48H30.C40H26.C38H26/c1-3-16-39(17-4-1)53-45-21-9-12-24-48(45)55(40-18-5-2-6-19-40)52-36-43(33-34-51(52)53)38-27-30-41(31-28-38)54-46-22-10-13-25-49(46)56(50-26-14-11-23-47(50)54)44-32-29-37-15-7-8-20-42(37)35-44;1-4-16-35(17-5-1)36-28-30-39(31-29-36)50-42-23-11-14-26-45(42)52(46-27-15-12-24-43(46)50)40-32-33-47-48(34-40)51(38-20-8-3-9-21-38)44-25-13-10-22-41(44)49(47)37-18-6-2-7-19-37;1-3-17-34(18-4-1)47-39-23-9-10-24-40(39)48(35-19-5-2-6-20-35)46-32-36(30-31-45(46)47)49-41-25-11-13-27-43(41)50(44-28-14-12-26-42(44)49)38-29-15-21-33-16-7-8-22-37(33)38;1-49(2)45-18-10-9-15-39(45)40-25-23-36(30-46(40)49)35-24-26-43-44(29-35)48(38-22-20-32-12-4-6-14-34(32)28-38)42-17-8-7-16-41(42)47(43)37-21-19-31-11-3-5-13-33(31)27-37;1-3-13-33-27-37(23-21-31(33)11-1)47-42-19-9-10-20-43(42)48(38-24-22-32-12-2-4-14-34(32)28-38)46-30-36(25-26-44(46)47)45-29-35-15-5-6-16-39(35)40-17-7-8-18-41(40)45;1-3-13-27(14-4-1)39-34-21-11-12-22-35(34)40(28-15-5-2-6-16-28)38-26-30(23-24-36(38)39)37-25-29-17-7-8-18-31(29)32-19-9-10-20-33(32)37;1-4-12-27(13-5-1)28-20-22-29(23-21-28)32-24-25-35-36(26-32)38(31-16-8-3-9-17-31)34-19-11-10-18-33(34)37(35)30-14-6-2-7-15-30/h1-36H;1-34H;1-32H;3-30H,1-2H3;1-30H;1-26H;1-26H |
| InChIKey | SQKCKGAEZFTLNA-UHFFFAOYSA-N |
| XLogP | 93.72 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 27 |
| Heavy Atoms | 333 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4219.41 |
| LogP ≤ 5 | 93.72 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |