C203H135Cl5 — CID 163551005
2,10-bis(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-ylanthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)-10-(4-phenylphenyl)anthracene;9-naphthalen-1-yl-2-(2,3,4,5,6-pentachlorophenyl)-10-(4-phenylphenyl)anthracene (PubChem CID 163551005) has the molecular formula C203H135Cl5 and a molecular weight of 2751.58 g/mol. Its IUPAC name is 2,10-bis(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-ylanthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)-10-(4-phenylphenyl)anthracene;9-naphthalen-1-yl-2-(2,3,4,5,6-pentachlorophenyl)-10-(4-phenylphenyl)anthracene.
| Compound Name | 2,10-bis(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-ylanthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)-10-(4-phenylphenyl)anthracene;9-naphthalen-1-yl-2-(2,3,4,5,6-pentachlorophenyl)-10-(4-phenylphenyl)anthracene |
|---|---|
| PubChem CID | 163551005 |
| Molecular Formula | C203H135Cl5 |
| Molecular Weight | 2751.58 g/mol |
| Exact Mass | 2746.90 |
| IUPAC Name | 2,10-bis(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-ylanthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)-10-(4-phenylphenyl)anthracene;9-naphthalen-1-yl-2-(2,3,4,5,6-pentachlorophenyl)-10-(4-phenylphenyl)anthracene |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4cc(-c5ccc(-c6cccc7ccccc67)cc5)ccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccccc5c(-c5cccc6ccccc56)c4c3)cc21.Clc1c(Cl)c(Cl)c(-c2ccc3c(-c4ccc(-c5ccccc5)cc4)c4ccccc4c(-c4cccc5ccccc45)c3c2)c(Cl)c1Cl.c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4cc(-c5ccc(-c6cccc7ccccc67)cc5)ccc34)cc2)cc1 |
| InChI | InChI=1S/C55H38.C54H40.C52H34.C42H23Cl5/c1-55(2)51-24-10-9-19-44(51)45-31-30-40(34-52(45)55)53-47-20-7-8-21-48(47)54(46-23-12-16-37-14-4-6-18-43(37)46)50-33-39(29-32-49(50)53)35-25-27-38(28-26-35)42-22-11-15-36-13-3-5-17-41(36)42;1-53(2)47-22-11-9-17-38(47)40-27-24-35(31-49(40)53)34-25-29-45-46(30-34)52(42-21-13-15-33-14-5-6-16-37(33)42)44-20-8-7-19-43(44)51(45)36-26-28-41-39-18-10-12-23-48(39)54(3,4)50(41)32-36;1-2-12-35(13-3-1)36-26-30-41(31-27-36)51-47-20-8-9-21-48(47)52(46-23-11-17-39-15-5-7-19-45(39)46)50-34-42(32-33-49(50)51)37-24-28-40(29-25-37)44-22-10-16-38-14-4-6-18-43(38)44;43-38-36(39(44)41(46)42(47)40(38)45)28-21-22-33-34(23-28)37(30-16-8-12-26-11-4-5-13-29(26)30)32-15-7-6-14-31(32)35(33)27-19-17-25(18-20-27)24-9-2-1-3-10-24/h3-34H,1-2H3;5-32H,1-4H3;1-34H;1-23H |
| InChIKey | FJBOEGHSWXQBBY-UHFFFAOYSA-N |
| XLogP | 59.75 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 16 |
| Heavy Atoms | 208 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2751.58 |
| LogP ≤ 5 | 59.75 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
| Structural Alerts | {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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