C200H132O3 — CID 163827573
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene;10-(3,10-diphenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;10-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;10-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran (PubChem CID 163827573) has the molecular formula C200H132O3 and a molecular weight of 2599.35 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene;10-(3,10-diphenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;10-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;10-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran.
| Compound Name | 9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene;10-(3,10-diphenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;10-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;10-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran |
|---|---|
| PubChem CID | 163827573 |
| Molecular Formula | C200H132O3 |
| Molecular Weight | 2599.35 g/mol |
| Exact Mass | 2597.12 |
| IUPAC Name | 9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene;10-(3,10-diphenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;10-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;10-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)c4)c4ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc21.[2H]c1c([2H])c([2H])c2c(-c3ccc4oc5ccc6ccccc6c5c4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc(-c4ccccc4)cc3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3ccc4oc5ccc6ccccc6c5c4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H].c1ccc(-c2ccc3c(-c4ccc5oc6ccc7ccccc7c6c5c4)c4ccccc4c(-c4ccccc4)c3c2)cc1 |
| InChI | InChI=1S/2C42H26O.C41H30.C39H28.C36H22O/c1-3-11-27(12-4-1)30-19-22-35-36(25-30)40(29-14-5-2-6-15-29)33-17-9-10-18-34(33)41(35)31-21-23-38-37(26-31)42-32-16-8-7-13-28(32)20-24-39(42)43-38;1-2-10-27(11-3-1)28-18-20-30(21-19-28)40-33-14-6-8-16-35(33)41(36-17-9-7-15-34(36)40)31-23-24-38-37(26-31)42-32-13-5-4-12-29(32)22-25-39(42)43-38;1-41(2)37-22-11-10-17-31(37)32-24-23-30(26-38(32)41)40-35-20-8-6-18-33(35)39(34-19-7-9-21-36(34)40)29-16-12-15-28(25-29)27-13-4-3-5-14-27;1-39(2)35-21-10-9-15-28(35)29-23-22-26(24-36(29)39)37-31-16-5-7-18-33(31)38(34-19-8-6-17-32(34)37)30-20-11-13-25-12-3-4-14-27(25)30;1-2-11-24(12-3-1)34-27-14-6-8-16-29(27)35(30-17-9-7-15-28(30)34)25-19-20-32-31(22-25)36-26-13-5-4-10-23(26)18-21-33(36)37-32/h2*1-26H;3-26H,1-2H3;3-24H,1-2H3;1-22H/i;6D,7D,8D,9D,14D,15D,16D,17D;;;6D,7D,8D,9D,14D,15D,16D,17D |
| InChIKey | OAVKNLUVLRQPMV-POVCTQMHSA-N |
| XLogP | 56.56 |
| TPSA | 39.42 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 203 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2599.35 |
| LogP ≤ 5 | 56.56 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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