C294H184 — CID 157295942
2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]triphenylene;2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]triphenylene;2-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene;2-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]triphenylene;2-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]triphenylene;2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]triphenylene (PubChem CID 157295942) has the molecular formula C294H184 and a molecular weight of 3716.71 g/mol. Its IUPAC name is 2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]triphenylene;2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]triphenylene;2-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene;2-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]triphenylene;2-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]triphenylene;2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]triphenylene.
| Compound Name | 2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]triphenylene;2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]triphenylene;2-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene;2-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]triphenylene;2-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]triphenylene;2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]triphenylene |
|---|---|
| PubChem CID | 157295942 |
| Molecular Formula | C294H184 |
| Molecular Weight | 3716.71 g/mol |
| Exact Mass | 3713.44 |
| IUPAC Name | 2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]triphenylene;2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]triphenylene;2-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene;2-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]triphenylene;2-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]triphenylene;2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]triphenylene |
| SMILES | c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2c3ccccc3c(-c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc23)c1.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c1.c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc4c5ccccc5c5ccccc5c4c3)c3ccccc23)c1.c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3ccc4c5ccccc5c5ccccc5c4c3)c3ccccc23)c1.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc6c7ccccc7c7ccccc7c6c5)c5ccccc45)cc3)ccc2c1 |
| InChI | InChI=1S/C54H34.5C48H30/c1-2-13-38-32-40(29-26-35(38)12-1)36-24-27-37(28-25-36)53-48-20-7-9-22-50(48)54(51-23-10-8-21-49(51)53)42-15-11-14-39(33-42)41-30-31-47-45-18-4-3-16-43(45)44-17-5-6-19-46(44)52(47)34-41;1-2-17-35-31(13-1)14-12-26-41(35)48-44-24-9-7-22-42(44)47(43-23-8-10-25-45(43)48)34-16-11-15-32(29-34)33-27-28-40-38-20-4-3-18-36(38)37-19-5-6-21-39(37)46(40)30-33;1-2-17-35-31(13-1)14-12-26-36(35)32-15-11-16-33(29-32)47-42-22-7-9-24-44(42)48(45-25-10-8-23-43(45)47)34-27-28-41-39-20-4-3-18-37(39)38-19-5-6-21-40(38)46(41)30-34;1-2-13-32-28-36(25-24-31(32)12-1)48-44-22-9-7-20-42(44)47(43-21-8-10-23-45(43)48)35-15-11-14-33(29-35)34-26-27-41-39-18-4-3-16-37(39)38-17-5-6-19-40(38)46(41)30-34;1-2-13-32-28-34(25-24-31(32)12-1)33-14-11-15-35(29-33)47-42-20-7-9-22-44(42)48(45-23-10-8-21-43(45)47)36-26-27-41-39-18-4-3-16-37(39)38-17-5-6-19-40(38)46(41)30-36;1-2-12-34-29-35(26-23-31(34)11-1)32-21-24-33(25-22-32)47-42-17-7-9-19-44(42)48(45-20-10-8-18-43(45)47)36-27-28-41-39-15-4-3-13-37(39)38-14-5-6-16-40(38)46(41)30-36/h1-34H;5*1-30H |
| InChIKey | BBIQMPZAEJDTEJ-UHFFFAOYSA-N |
| XLogP | 83.31 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 19 |
| Heavy Atoms | 294 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3716.71 |
| LogP ≤ 5 | 83.31 |
| 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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