C273H190 — CID 162097348
9-[3,5-bis(3,6-dimethylphenanthren-9-yl)phenyl]-3,6-dimethylphenanthrene;9-[3,5-bis(3-methylphenanthren-9-yl)phenyl]-3-methylphenanthrene;1-[3-[3,5-bis(3-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene;1-[4-[3,5-bis(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene;1,4-dinaphthalen-2-ylnaphthalene;1,5-dinaphthalen-2-ylnaphthalene (PubChem CID 162097348) has the molecular formula C273H190 and a molecular weight of 3470.52 g/mol. Its IUPAC name is 9-[3,5-bis(3,6-dimethylphenanthren-9-yl)phenyl]-3,6-dimethylphenanthrene;9-[3,5-bis(3-methylphenanthren-9-yl)phenyl]-3-methylphenanthrene;1-[3-[3,5-bis(3-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene;1-[4-[3,5-bis(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene;1,4-dinaphthalen-2-ylnaphthalene;1,5-dinaphthalen-2-ylnaphthalene.
| Compound Name | 9-[3,5-bis(3,6-dimethylphenanthren-9-yl)phenyl]-3,6-dimethylphenanthrene;9-[3,5-bis(3-methylphenanthren-9-yl)phenyl]-3-methylphenanthrene;1-[3-[3,5-bis(3-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene;1-[4-[3,5-bis(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene;1,4-dinaphthalen-2-ylnaphthalene;1,5-dinaphthalen-2-ylnaphthalene |
|---|---|
| PubChem CID | 162097348 |
| Molecular Formula | C273H190 |
| Molecular Weight | 3470.52 g/mol |
| Exact Mass | 3467.49 |
| IUPAC Name | 9-[3,5-bis(3,6-dimethylphenanthren-9-yl)phenyl]-3,6-dimethylphenanthrene;9-[3,5-bis(3-methylphenanthren-9-yl)phenyl]-3-methylphenanthrene;1-[3-[3,5-bis(3-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene;1-[4-[3,5-bis(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene;1,4-dinaphthalen-2-ylnaphthalene;1,5-dinaphthalen-2-ylnaphthalene |
| SMILES | Cc1ccc2cc(-c3cc(-c4cc5ccc(C)cc5c5cc(C)ccc45)cc(-c4cc5ccc(C)cc5c5cc(C)ccc45)c3)c3ccc(C)cc3c2c1.Cc1ccc2cc(-c3cc(-c4cc5ccc(C)cc5c5ccccc45)cc(-c4cc5ccc(C)cc5c5ccccc45)c3)c3ccccc3c2c1.c1cc(-c2cc(-c3cccc(-c4cccc5ccccc45)c3)cc(-c3cccc(-c4cccc5ccccc45)c3)c2)cc(-c2cccc3ccccc23)c1.c1ccc2c(-c3ccc(-c4cc(-c5ccc(-c6cccc7ccccc67)cc5)cc(-c5ccc(-c6cccc7ccccc67)cc5)c4)cc3)cccc2c1.c1ccc2cc(-c3ccc(-c4ccc5ccccc5c4)c4ccccc34)ccc2c1.c1ccc2cc(-c3cccc4c(-c5ccc6ccccc6c5)cccc34)ccc2c1 |
| InChI | InChI=1S/C54H42.2C54H36.C51H36.2C30H20/c1-31-7-13-37-28-49(43-16-10-34(4)22-52(43)46(37)19-31)40-25-41(50-29-38-14-8-32(2)20-47(38)53-23-35(5)11-17-44(50)53)27-42(26-40)51-30-39-15-9-33(3)21-48(39)54-24-36(6)12-18-45(51)54;1-4-25-49-37(13-1)16-10-28-52(49)43-22-7-19-40(31-43)46-34-47(41-20-8-23-44(32-41)53-29-11-17-38-14-2-5-26-50(38)53)36-48(35-46)42-21-9-24-45(33-42)54-30-12-18-39-15-3-6-27-51(39)54;1-4-16-49-40(10-1)13-7-19-52(49)43-28-22-37(23-29-43)46-34-47(38-24-30-44(31-25-38)53-20-8-14-41-11-2-5-17-50(41)53)36-48(35-46)39-26-32-45(33-27-39)54-21-9-15-42-12-3-6-18-51(42)54;1-31-16-19-34-28-49(43-13-7-4-10-40(43)46(34)22-31)37-25-38(50-29-35-20-17-32(2)23-47(35)41-11-5-8-14-44(41)50)27-39(26-37)51-30-36-21-18-33(3)24-48(36)42-12-6-9-15-45(42)51;1-3-9-23-19-25(17-15-21(23)7-1)27-11-5-14-30-28(12-6-13-29(27)30)26-18-16-22-8-2-4-10-24(22)20-26;1-3-9-23-19-25(15-13-21(23)7-1)27-17-18-28(30-12-6-5-11-29(27)30)26-16-14-22-8-2-4-10-24(22)20-26/h7-30H,1-6H3;2*1-36H;4-30H,1-3H3;2*1-20H |
| InChIKey | ZEKQZPMNAIKUQI-UHFFFAOYSA-N |
| XLogP | 77.25 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 22 |
| Heavy Atoms | 273 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3470.52 |
| LogP ≤ 5 | 77.25 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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