C264H200 — CID 157342498
2-methylanthracene;9-methylanthracene;2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;2-methylphenanthrene;9-methylphenanthrene;9-methyl-10-phenylanthracene;9-(3-methylphenyl)-9-phenylfluorene;9-(4-methylphenyl)-9-phenylfluorene;1-methylpyrene;2-methylpyrene;2-methyl-9,9'-spirobi[fluorene];2-methyltriphenylene (PubChem CID 157342498) has the molecular formula C264H200 and a molecular weight of 3372.50 g/mol. Its IUPAC name is 2-methylanthracene;9-methylanthracene;2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;2-methylphenanthrene;9-methylphenanthrene;9-methyl-10-phenylanthracene;9-(3-methylphenyl)-9-phenylfluorene;9-(4-methylphenyl)-9-phenylfluorene;1-methylpyrene;2-methylpyrene;2-methyl-9,9'-spirobi[fluorene];2-methyltriphenylene.
| Compound Name | 2-methylanthracene;9-methylanthracene;2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;2-methylphenanthrene;9-methylphenanthrene;9-methyl-10-phenylanthracene;9-(3-methylphenyl)-9-phenylfluorene;9-(4-methylphenyl)-9-phenylfluorene;1-methylpyrene;2-methylpyrene;2-methyl-9,9'-spirobi[fluorene];2-methyltriphenylene |
|---|---|
| PubChem CID | 157342498 |
| Molecular Formula | C264H200 |
| Molecular Weight | 3372.50 g/mol |
| Exact Mass | 3369.57 |
| IUPAC Name | 2-methylanthracene;9-methylanthracene;2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;2-methylphenanthrene;9-methylphenanthrene;9-methyl-10-phenylanthracene;9-(3-methylphenyl)-9-phenylfluorene;9-(4-methylphenyl)-9-phenylfluorene;1-methylpyrene;2-methylpyrene;2-methyl-9,9'-spirobi[fluorene];2-methyltriphenylene |
| SMILES | Cc1c2ccccc2c(-c2ccccc2)c2ccccc12.Cc1c2ccccc2cc2ccccc12.Cc1cc2ccc3cccc4ccc(c1)c2c34.Cc1cc2ccccc2c2ccccc12.Cc1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.Cc1ccc2c(c1)-c1ccccc1C2(c1ccccc1)c1ccccc1.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.Cc1ccc2c(ccc3ccccc32)c1.Cc1ccc2c3ccccc3c3ccccc3c2c1.Cc1ccc2cc3ccccc3cc2c1.Cc1ccc2ccc3cccc4ccc1c2c34.Cc1cccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)c1 |
| InChI | InChI=1S/C26H18.4C26H20.C21H16.C19H14.2C17H12.4C15H12/c1-17-14-15-21-20-10-4-7-13-24(20)26(25(21)16-17)22-11-5-2-8-18(22)19-9-3-6-12-23(19)26;1-19-16-17-25-23(18-19)22-14-8-9-15-24(22)26(25,20-10-4-2-5-11-20)21-12-6-3-7-13-21;1-19-16-17-23-22-14-8-9-15-24(22)26(25(23)18-19,20-10-4-2-5-11-20)21-12-6-3-7-13-21;1-19-10-9-13-21(18-19)26(20-11-3-2-4-12-20)24-16-7-5-14-22(24)23-15-6-8-17-25(23)26;1-19-15-17-21(18-16-19)26(20-9-3-2-4-10-20)24-13-7-5-11-22(24)23-12-6-8-14-25(23)26;1-15-17-11-5-7-13-19(17)21(16-9-3-2-4-10-16)20-14-8-6-12-18(15)20;1-13-10-11-18-16-8-3-2-6-14(16)15-7-4-5-9-17(15)19(18)12-13;1-11-9-14-7-5-12-3-2-4-13-6-8-15(10-11)17(14)16(12)13;1-11-5-6-14-8-7-12-3-2-4-13-9-10-15(11)17(14)16(12)13;1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13;1-11-10-12-6-2-3-8-14(12)15-9-5-4-7-13(11)15;1-11-6-9-15-13(10-11)8-7-12-4-2-3-5-14(12)15;1-11-6-7-14-9-12-4-2-3-5-13(12)10-15(14)8-11/h2-16H,1H3;4*2-18H,1H3;2-14H,1H3;2-12H,1H3;2*2-10H,1H3;4*2-10H,1H3 |
| InChIKey | BGOGYUIXOTVWFH-UHFFFAOYSA-N |
| XLogP | 70.18 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 9 |
| Heavy Atoms | 264 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3372.50 |
| LogP ≤ 5 | 70.18 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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