C255H194N8O7S — CID 159059823
9-methylcarbazole;2-methyldibenzofuran;bis(4-methyldibenzofuran);2-methyldibenzothiophene;9-methyl-3,6-diphenylcarbazole;2-methyl-9,9-diphenylxanthene;4-methyl-9,9-diphenylxanthene;2-methyl-1,10-phenanthroline;3-methyl-9-phenylcarbazole;2-methyl-9-phenyl-1,10-phenanthroline;8-methylquinoline;2'-methylspiro[fluorene-9,9'-xanthene];4'-methylspiro[fluorene-9,9'-xanthene] (PubChem CID 159059823) has the molecular formula C255H194N8O7S and a molecular weight of 3514.47 g/mol. Its IUPAC name is 9-methylcarbazole;2-methyldibenzofuran;bis(4-methyldibenzofuran);2-methyldibenzothiophene;9-methyl-3,6-diphenylcarbazole;2-methyl-9,9-diphenylxanthene;4-methyl-9,9-diphenylxanthene;2-methyl-1,10-phenanthroline;3-methyl-9-phenylcarbazole;2-methyl-9-phenyl-1,10-phenanthroline;8-methylquinoline;2'-methylspiro[fluorene-9,9'-xanthene];4'-methylspiro[fluorene-9,9'-xanthene].
| Compound Name | 9-methylcarbazole;2-methyldibenzofuran;bis(4-methyldibenzofuran);2-methyldibenzothiophene;9-methyl-3,6-diphenylcarbazole;2-methyl-9,9-diphenylxanthene;4-methyl-9,9-diphenylxanthene;2-methyl-1,10-phenanthroline;3-methyl-9-phenylcarbazole;2-methyl-9-phenyl-1,10-phenanthroline;8-methylquinoline;2'-methylspiro[fluorene-9,9'-xanthene];4'-methylspiro[fluorene-9,9'-xanthene] |
|---|---|
| PubChem CID | 159059823 |
| Molecular Formula | C255H194N8O7S |
| Molecular Weight | 3514.47 g/mol |
| Exact Mass | 3511.48 |
| IUPAC Name | 9-methylcarbazole;2-methyldibenzofuran;bis(4-methyldibenzofuran);2-methyldibenzothiophene;9-methyl-3,6-diphenylcarbazole;2-methyl-9,9-diphenylxanthene;4-methyl-9,9-diphenylxanthene;2-methyl-1,10-phenanthroline;3-methyl-9-phenylcarbazole;2-methyl-9-phenyl-1,10-phenanthroline;8-methylquinoline;2'-methylspiro[fluorene-9,9'-xanthene];4'-methylspiro[fluorene-9,9'-xanthene] |
| SMILES | Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1O2.Cc1ccc2c(c1)C1(c3ccccc3O2)c2ccccc2-c2ccccc21.Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1.Cc1ccc2ccc3ccc(-c4ccccc4)nc3c2n1.Cc1ccc2ccc3cccnc3c2n1.Cc1ccc2oc3ccccc3c2c1.Cc1ccc2sc3ccccc3c2c1.Cc1cccc2c1Oc1ccccc1C2(c1ccccc1)c1ccccc1.Cc1cccc2c1Oc1ccccc1C21c2ccccc2-c2ccccc21.Cc1cccc2c1oc1ccccc12.Cc1cccc2c1oc1ccccc12.Cc1cccc2cccnc12.Cn1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21.Cn1c2ccccc2c2ccccc21 |
| InChI | InChI=1S/2C26H18O.2C26H20O.C25H19N.C19H14N2.C19H15N.C13H10N2.C13H11N.3C13H10O.C13H10S.C10H9N/c1-17-9-8-15-23-25(17)27-24-16-7-6-14-22(24)26(23)20-12-4-2-10-18(20)19-11-3-5-13-21(19)26;1-17-14-15-25-23(16-17)26(22-12-6-7-13-24(22)27-25)20-10-4-2-8-18(20)19-9-3-5-11-21(19)26;1-19-11-10-17-23-25(19)27-24-18-9-8-16-22(24)26(23,20-12-4-2-5-13-20)21-14-6-3-7-15-21;1-19-16-17-25-23(18-19)26(20-10-4-2-5-11-20,21-12-6-3-7-13-21)22-14-8-9-15-24(22)27-25;1-26-24-14-12-20(18-8-4-2-5-9-18)16-22(24)23-17-21(13-15-25(23)26)19-10-6-3-7-11-19;1-13-7-8-15-9-10-16-11-12-17(14-5-3-2-4-6-14)21-19(16)18(15)20-13;1-14-11-12-19-17(13-14)16-9-5-6-10-18(16)20(19)15-7-3-2-4-8-15;1-9-4-5-11-7-6-10-3-2-8-14-12(10)13(11)15-9;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;2*1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;2*1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;1-8-4-2-5-9-6-3-7-11-10(8)9/h2*2-16H,1H3;2*2-18H,1H3;2-17H,1H3;2-12H,1H3;2-13H,1H3;2-8H,1H3;2-9H,1H3;4*2-8H,1H3;2-7H,1H3 |
| InChIKey | JYHXQMNHAUNVHE-UHFFFAOYSA-N |
| XLogP | 67.42 |
| TPSA | 155.58 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 8 |
| Heavy Atoms | 271 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3514.47 |
| LogP ≤ 5 | 67.42 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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