C262H172OS — CID 163714376
9-[6-(9,9-dimethylfluoren-3-yl)naphthalen-2-yl]-10-naphthalen-1-ylanthracene;9-[6-(9,9-dimethylfluoren-3-yl)naphthalen-2-yl]-10-phenylanthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-(4-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene;2-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran;2-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzothiophene (PubChem CID 163714376) has the molecular formula C262H172OS and a molecular weight of 3368.32 g/mol. Its IUPAC name is 9-[6-(9,9-dimethylfluoren-3-yl)naphthalen-2-yl]-10-naphthalen-1-ylanthracene;9-[6-(9,9-dimethylfluoren-3-yl)naphthalen-2-yl]-10-phenylanthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-(4-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene;2-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran;2-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzothiophene.
| Compound Name | 9-[6-(9,9-dimethylfluoren-3-yl)naphthalen-2-yl]-10-naphthalen-1-ylanthracene;9-[6-(9,9-dimethylfluoren-3-yl)naphthalen-2-yl]-10-phenylanthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-(4-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene;2-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran;2-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzothiophene |
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| PubChem CID | 163714376 |
| Molecular Formula | C262H172OS |
| Molecular Weight | 3368.32 g/mol |
| Exact Mass | 3365.31 |
| IUPAC Name | 9-[6-(9,9-dimethylfluoren-3-yl)naphthalen-2-yl]-10-naphthalen-1-ylanthracene;9-[6-(9,9-dimethylfluoren-3-yl)naphthalen-2-yl]-10-phenylanthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-(4-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene;2-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran;2-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzothiophene |
| SMILES | CC1(C)c2ccccc2-c2cc(-c3ccc4cc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)ccc4c3)ccc21.CC1(C)c2ccccc2-c2cc(-c3ccc4cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)ccc4c3)ccc21.c1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5ccccc45)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5ccc6oc7ccccc7c6c5)ccc4c3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5ccc6sc7ccccc7c6c5)ccc4c3)c3ccccc23)cc1.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c4ccccc34)ccc2c1 |
| InChI | InChI=1S/C49H34.C45H32.C44H28.C42H26O.C42H26S.C40H26/c1-49(2)45-21-10-9-15-38(45)44-30-35(26-27-46(44)49)33-22-23-34-29-36(25-24-32(34)28-33)47-40-16-5-7-18-42(40)48(43-19-8-6-17-41(43)47)39-20-11-13-31-12-3-4-14-37(31)39;1-45(2)41-19-11-10-14-35(41)40-28-33(24-25-42(40)45)31-20-21-32-27-34(23-22-30(32)26-31)44-38-17-8-6-15-36(38)43(29-12-4-3-5-13-29)37-16-7-9-18-39(37)44;1-2-14-31-28-32(25-24-29(31)12-1)34-26-27-42(36-18-6-5-17-35(34)36)44-40-21-9-7-19-38(40)43(39-20-8-10-22-41(39)44)37-23-11-15-30-13-3-4-16-33(30)37;2*1-2-10-27(11-3-1)41-34-13-4-6-15-36(34)42(37-16-7-5-14-35(37)41)32-21-20-28-24-29(18-19-30(28)25-32)31-22-23-40-38(26-31)33-12-8-9-17-39(33)43-40;1-2-14-28(15-3-1)39-34-20-8-10-22-36(34)40(37-23-11-9-21-35(37)39)38-26-25-33(31-18-6-7-19-32(31)38)30-24-12-16-27-13-4-5-17-29(27)30/h3-30H,1-2H3;3-28H,1-2H3;1-28H;2*1-26H;1-26H |
| InChIKey | KMAZNKAHTBOUON-UHFFFAOYSA-N |
| XLogP | 74.38 |
| TPSA | 13.14 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 264 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3368.32 |
| LogP ≤ 5 | 74.38 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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