C285H182 — CID 158514658
9-(6,8-diphenylnaphthalen-2-yl)-10-(4-phenylnaphthalen-1-yl)anthracene;1-methyl-9-[6-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]naphthalen-2-yl]phenanthrene;1-(10-naphthalen-2-ylanthracen-9-yl)pyrene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-(6-naphthalen-1-ylnaphthalen-2-yl)-10-(6-phenylnaphthalen-2-yl)anthracene;9-(6-phenanthren-9-ylnaphthalen-2-yl)-10-(6-phenylnaphthalen-2-yl)anthracene (PubChem CID 158514658) has the molecular formula C285H182 and a molecular weight of 3606.59 g/mol. Its IUPAC name is 9-(6,8-diphenylnaphthalen-2-yl)-10-(4-phenylnaphthalen-1-yl)anthracene;1-methyl-9-[6-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]naphthalen-2-yl]phenanthrene;1-(10-naphthalen-2-ylanthracen-9-yl)pyrene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-(6-naphthalen-1-ylnaphthalen-2-yl)-10-(6-phenylnaphthalen-2-yl)anthracene;9-(6-phenanthren-9-ylnaphthalen-2-yl)-10-(6-phenylnaphthalen-2-yl)anthracene.
| Compound Name | 9-(6,8-diphenylnaphthalen-2-yl)-10-(4-phenylnaphthalen-1-yl)anthracene;1-methyl-9-[6-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]naphthalen-2-yl]phenanthrene;1-(10-naphthalen-2-ylanthracen-9-yl)pyrene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-(6-naphthalen-1-ylnaphthalen-2-yl)-10-(6-phenylnaphthalen-2-yl)anthracene;9-(6-phenanthren-9-ylnaphthalen-2-yl)-10-(6-phenylnaphthalen-2-yl)anthracene |
|---|---|
| PubChem CID | 158514658 |
| Molecular Formula | C285H182 |
| Molecular Weight | 3606.59 g/mol |
| Exact Mass | 3603.42 |
| IUPAC Name | 9-(6,8-diphenylnaphthalen-2-yl)-10-(4-phenylnaphthalen-1-yl)anthracene;1-methyl-9-[6-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]naphthalen-2-yl]phenanthrene;1-(10-naphthalen-2-ylanthracen-9-yl)pyrene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-(6-naphthalen-1-ylnaphthalen-2-yl)-10-(6-phenylnaphthalen-2-yl)anthracene;9-(6-phenanthren-9-ylnaphthalen-2-yl)-10-(6-phenylnaphthalen-2-yl)anthracene |
| SMILES | Cc1cccc2c1cc(-c1ccc3cc(-c4c5ccccc5c(-c5ccc6cc(-c7ccccc7)ccc6c5)c5ccccc45)ccc3c1)c1ccccc12.c1ccc(-c2cc(-c3ccccc3)c3cc(-c4c5ccccc5c(-c5ccc(-c6ccccc6)c6ccccc56)c5ccccc45)ccc3c2)cc1.c1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5ccc6cc(-c7cc8ccccc8c8ccccc78)ccc6c5)c5ccccc45)ccc3c2)cc1.c1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5ccc6cc(-c7cccc8ccccc78)ccc6c5)c5ccccc45)ccc3c2)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccc6cccc7ccc4c5c67)c4ccccc34)ccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)ccc2c1 |
| InChI | InChI=1S/C55H36.C54H34.C52H34.C50H32.C40H24.C34H22/c1-35-12-11-21-46-45-15-5-6-16-47(45)53(34-52(35)46)42-27-24-41-33-44(29-26-39(41)31-42)55-50-19-9-7-17-48(50)54(49-18-8-10-20-51(49)55)43-28-25-38-30-37(22-23-40(38)32-43)36-13-3-2-4-14-36;1-2-12-35(13-3-1)36-22-23-39-32-43(28-25-37(39)30-36)53-48-18-8-10-20-50(48)54(51-21-11-9-19-49(51)53)44-29-26-38-31-42(27-24-40(38)33-44)52-34-41-14-4-5-15-45(41)46-16-6-7-17-47(46)52;1-4-16-35(17-5-1)40-32-38-28-29-39(33-50(38)49(34-40)37-20-8-3-9-21-37)51-44-24-12-14-26-46(44)52(47-27-15-13-25-45(47)51)48-31-30-41(36-18-6-2-7-19-36)42-22-10-11-23-43(42)48;1-2-11-33(12-3-1)35-21-22-38-31-41(27-24-36(38)29-35)49-45-16-6-8-18-47(45)50(48-19-9-7-17-46(48)49)42-28-25-37-30-40(26-23-39(37)32-42)44-20-10-14-34-13-4-5-15-43(34)44;1-2-9-29-24-30(19-16-25(29)8-1)38-31-12-3-5-14-33(31)40(34-15-6-4-13-32(34)38)36-23-21-28-18-17-26-10-7-11-27-20-22-35(36)39(28)37(26)27;1-2-12-25-22-26(21-20-23(25)10-1)33-29-15-5-7-17-31(29)34(32-18-8-6-16-30(32)33)28-19-9-13-24-11-3-4-14-27(24)28/h2-34H,1H3;1-34H;1-34H;1-32H;1-24H;1-22H |
| InChIKey | HLMDNMJEKFOTST-UHFFFAOYSA-N |
| XLogP | 80.62 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 21 |
| Heavy Atoms | 285 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3606.59 |
| LogP ≤ 5 | 80.62 |
| 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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