C230H150 — CID 167685613
9,10-dinaphthalen-2-ylanthracene;9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-phenanthren-9-ylanthracene;9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracene;9-(4-naphthalen-1-ylnaphthalen-1-yl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-(5-phenylnaphthalen-1-yl)-10-(3-phenylphenyl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene (PubChem CID 167685613) has the molecular formula C230H150 and a molecular weight of 2932.85 g/mol. Its IUPAC name is 9,10-dinaphthalen-2-ylanthracene;9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-phenanthren-9-ylanthracene;9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracene;9-(4-naphthalen-1-ylnaphthalen-1-yl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-(5-phenylnaphthalen-1-yl)-10-(3-phenylphenyl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene.
| Compound Name | 9,10-dinaphthalen-2-ylanthracene;9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-phenanthren-9-ylanthracene;9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracene;9-(4-naphthalen-1-ylnaphthalen-1-yl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-(5-phenylnaphthalen-1-yl)-10-(3-phenylphenyl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene |
|---|---|
| PubChem CID | 167685613 |
| Molecular Formula | C230H150 |
| Molecular Weight | 2932.85 g/mol |
| Exact Mass | 2930.29 |
| IUPAC Name | 9,10-dinaphthalen-2-ylanthracene;9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-phenanthren-9-ylanthracene;9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracene;9-(4-naphthalen-1-ylnaphthalen-1-yl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-(5-phenylnaphthalen-1-yl)-10-(3-phenylphenyl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene |
| SMILES | [2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3ccc(-c4cccc5ccccc45)c4ccccc34)c3ccccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c2c(-c3c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4ccccc34)c([2H])c([2H])c([2H])c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3c4ccccc4c(-c4ccc(-c5ccccc5)c5ccccc45)c4ccccc34)c([2H])c([2H])c([2H])c2c1[2H].c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc5c(-c6ccccc6)cccc45)c4ccccc34)c2)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)ccc2c1 |
| InChI | InChI=1S/C42H28.2C40H26.C38H24.C36H24.C34H22/c1-3-14-29(15-4-1)31-18-11-19-32(28-31)41-37-20-7-9-22-39(37)42(40-23-10-8-21-38(40)41)36-27-13-25-34-33(24-12-26-35(34)36)30-16-5-2-6-17-30;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;1-2-13-27(14-3-1)30-25-26-38(32-19-7-6-18-31(30)32)40-36-22-10-8-20-34(36)39(35-21-9-11-23-37(35)40)33-24-12-16-28-15-4-5-17-29(28)33;1-3-15-27-25(12-1)14-11-23-31(27)37-32-19-7-9-21-34(32)38(35-22-10-8-20-33(35)37)36-24-26-13-2-4-16-28(26)29-17-5-6-18-30(29)36;1-3-13-25(14-4-1)27-23-24-34(29-18-8-7-17-28(27)29)36-32-21-11-9-19-30(32)35(26-15-5-2-6-16-26)31-20-10-12-22-33(31)36;1-3-11-25-21-27(19-17-23(25)9-1)33-29-13-5-7-15-31(29)34(32-16-8-6-14-30(32)33)28-20-18-24-10-2-4-12-26(24)22-28/h1-28H;2*1-26H;1-24H;1-24H;1-22H/i;1D,2D,3D,14D,15D;4D,5D,12D,15D,16D,17D,24D;1D,3D,11D,12D,14D,15D,23D;; |
| InChIKey | WEADOZSZHYOSOQ-OTJFCGJUSA-N |
| XLogP | 64.98 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 17 |
| Heavy Atoms | 230 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2932.85 |
| LogP ≤ 5 | 64.98 |
| 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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