C269H186 — CID 160840181
10-(9,9-dimethylfluoren-2-yl)-2,9-diphenylanthracene;10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-9-phenylanthracene;10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-phenylanthracene;2-(4-naphthalen-1-ylphenyl)-9-phenyl-10-(4-phenylphenyl)anthracene;2-(2,3,4,5,6-pentadeuteriophenyl)-9-phenyl-10-(4-phenylphenyl)anthracene;9-phenyl-2-(10-phenylanthracen-9-yl)-10-(4-phenylphenyl)anthracene (PubChem CID 160840181) has the molecular formula C269H186 and a molecular weight of 3423.48 g/mol. Its IUPAC name is 10-(9,9-dimethylfluoren-2-yl)-2,9-diphenylanthracene;10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-9-phenylanthracene;10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-phenylanthracene;2-(4-naphthalen-1-ylphenyl)-9-phenyl-10-(4-phenylphenyl)anthracene;2-(2,3,4,5,6-pentadeuteriophenyl)-9-phenyl-10-(4-phenylphenyl)anthracene;9-phenyl-2-(10-phenylanthracen-9-yl)-10-(4-phenylphenyl)anthracene.
| Compound Name | 10-(9,9-dimethylfluoren-2-yl)-2,9-diphenylanthracene;10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-9-phenylanthracene;10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-phenylanthracene;2-(4-naphthalen-1-ylphenyl)-9-phenyl-10-(4-phenylphenyl)anthracene;2-(2,3,4,5,6-pentadeuteriophenyl)-9-phenyl-10-(4-phenylphenyl)anthracene;9-phenyl-2-(10-phenylanthracen-9-yl)-10-(4-phenylphenyl)anthracene |
|---|---|
| PubChem CID | 160840181 |
| Molecular Formula | C269H186 |
| Molecular Weight | 3423.48 g/mol |
| Exact Mass | 3420.49 |
| IUPAC Name | 10-(9,9-dimethylfluoren-2-yl)-2,9-diphenylanthracene;10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-9-phenylanthracene;10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-phenylanthracene;2-(4-naphthalen-1-ylphenyl)-9-phenyl-10-(4-phenylphenyl)anthracene;2-(2,3,4,5,6-pentadeuteriophenyl)-9-phenyl-10-(4-phenylphenyl)anthracene;9-phenyl-2-(10-phenylanthracen-9-yl)-10-(4-phenylphenyl)anthracene |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4cc(-c5ccc6ccccc6c5)ccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4cc(-c5cccc6ccccc56)ccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4cc(-c5ccccc5)ccc34)cc21.[2H]c1c([2H])c([2H])c(-c2ccc3c(-c4ccc(-c5ccccc5)cc4)c4ccccc4c(-c4ccccc4)c3c2)c([2H])c1[2H].c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)ccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4cc(-c5ccc(-c6cccc7ccccc67)cc5)ccc34)cc2)cc1 |
| InChI | InChI=1S/C52H34.C48H32.2C45H32.C41H30.C38H26/c1-4-16-35(17-5-1)36-28-30-39(31-29-36)50-41-22-10-13-25-44(41)51(38-20-8-3-9-21-38)48-34-40(32-33-47(48)50)52-45-26-14-11-23-42(45)49(37-18-6-2-7-19-37)43-24-12-15-27-46(43)52;1-3-12-33(13-4-1)34-24-28-39(29-25-34)47-43-19-9-10-20-44(43)48(38-15-5-2-6-16-38)46-32-40(30-31-45(46)47)35-22-26-37(27-23-35)42-21-11-17-36-14-7-8-18-41(36)42;1-45(2)41-22-11-10-18-35(41)36-25-24-32(28-42(36)45)44-38-20-9-8-19-37(38)43(30-14-4-3-5-15-30)40-27-31(23-26-39(40)44)34-21-12-16-29-13-6-7-17-33(29)34;1-45(2)41-19-11-10-16-35(41)36-24-23-34(28-42(36)45)44-38-18-9-8-17-37(38)43(30-13-4-3-5-14-30)40-27-33(22-25-39(40)44)32-21-20-29-12-6-7-15-31(29)26-32;1-41(2)37-20-12-11-17-31(37)32-23-22-30(26-38(32)41)40-34-19-10-9-18-33(34)39(28-15-7-4-8-16-28)36-25-29(21-24-35(36)40)27-13-5-3-6-14-27;1-4-12-27(13-5-1)29-20-22-31(23-21-29)37-33-18-10-11-19-34(33)38(30-16-8-3-9-17-30)36-26-32(24-25-35(36)37)28-14-6-2-7-15-28/h1-34H;1-32H;2*3-28H,1-2H3;3-26H,1-2H3;1-26H/i;;;;;2D,6D,7D,14D,15D |
| InChIKey | SHXRVFDBCDXEOA-LQZZPXARSA-N |
| XLogP | 74.98 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 23 |
| Heavy Atoms | 269 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3423.48 |
| LogP ≤ 5 | 74.98 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
|---|