C210H162 — CID 162115293
2-cyclopenta-1,3-dien-1-ylanthracene;2-cyclopenta-1,3-dien-1-yl-1H-cyclopenta[b]naphthalene;bis(6-cyclopenta-1,3-dien-1-yl-1H-cyclopenta[b]naphthalene);6-cyclopenta-1,3-dien-1-yl-1,4-dihydrocyclopenta[a]indene;2-cyclopenta-1,3-dien-1-yl-3,9-dihydrocyclopenta[b]fluorene;2-cyclopenta-1,3-dien-1-yl-5,10-dihydroindeno[2,1-a]indene;3-cyclopenta-1,3-dien-1-yl-9H-fluorene;2-(1H-inden-2-yl)anthracene;5-phenyl-4,7-dihydro-3H-cyclopenta[a]pentalene;4-phenyltetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene (PubChem CID 162115293) has the molecular formula C210H162 and a molecular weight of 2685.61 g/mol. Its IUPAC name is 2-cyclopenta-1,3-dien-1-ylanthracene;2-cyclopenta-1,3-dien-1-yl-1H-cyclopenta[b]naphthalene;bis(6-cyclopenta-1,3-dien-1-yl-1H-cyclopenta[b]naphthalene);6-cyclopenta-1,3-dien-1-yl-1,4-dihydrocyclopenta[a]indene;2-cyclopenta-1,3-dien-1-yl-3,9-dihydrocyclopenta[b]fluorene;2-cyclopenta-1,3-dien-1-yl-5,10-dihydroindeno[2,1-a]indene;3-cyclopenta-1,3-dien-1-yl-9H-fluorene;2-(1H-inden-2-yl)anthracene;5-phenyl-4,7-dihydro-3H-cyclopenta[a]pentalene;4-phenyltetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene.
| Compound Name | 2-cyclopenta-1,3-dien-1-ylanthracene;2-cyclopenta-1,3-dien-1-yl-1H-cyclopenta[b]naphthalene;bis(6-cyclopenta-1,3-dien-1-yl-1H-cyclopenta[b]naphthalene);6-cyclopenta-1,3-dien-1-yl-1,4-dihydrocyclopenta[a]indene;2-cyclopenta-1,3-dien-1-yl-3,9-dihydrocyclopenta[b]fluorene;2-cyclopenta-1,3-dien-1-yl-5,10-dihydroindeno[2,1-a]indene;3-cyclopenta-1,3-dien-1-yl-9H-fluorene;2-(1H-inden-2-yl)anthracene;5-phenyl-4,7-dihydro-3H-cyclopenta[a]pentalene;4-phenyltetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene |
|---|---|
| PubChem CID | 162115293 |
| Molecular Formula | C210H162 |
| Molecular Weight | 2685.61 g/mol |
| Exact Mass | 2683.27 |
| IUPAC Name | 2-cyclopenta-1,3-dien-1-ylanthracene;2-cyclopenta-1,3-dien-1-yl-1H-cyclopenta[b]naphthalene;bis(6-cyclopenta-1,3-dien-1-yl-1H-cyclopenta[b]naphthalene);6-cyclopenta-1,3-dien-1-yl-1,4-dihydrocyclopenta[a]indene;2-cyclopenta-1,3-dien-1-yl-3,9-dihydrocyclopenta[b]fluorene;2-cyclopenta-1,3-dien-1-yl-5,10-dihydroindeno[2,1-a]indene;3-cyclopenta-1,3-dien-1-yl-9H-fluorene;2-(1H-inden-2-yl)anthracene;5-phenyl-4,7-dihydro-3H-cyclopenta[a]pentalene;4-phenyltetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene |
| SMILES | C1=C(c2ccc3cc4ccccc4cc3c2)Cc2ccccc21.C1=CC2=C(C1)C1=C(C2)C2=C(C=C(c3ccccc3)C2)C1.C1=CC2=C(C1)C1=C(C=C(c3ccccc3)C1)C2.C1=CCC(C2=Cc3cc4c(cc3C2)-c2ccccc2C4)=C1.C1=CCC(C2=Cc3cc4ccccc4cc3C2)=C1.C1=CCC(c2ccc3c(c2)-c2ccccc2C3)=C1.C1=CCC(c2ccc3c(c2)CC2=C3CC=C2)=C1.C1=CCC(c2ccc3c(c2)CC2=C3Cc3ccccc32)=C1.C1=CCC(c2ccc3cc4c(cc3c2)C=CC4)=C1.C1=CCC(c2ccc3cc4c(cc3c2)C=CC4)=C1.C1=CCC(c2ccc3cc4ccccc4cc3c2)=C1 |
| InChI | InChI=1S/C23H16.2C21H16.C20H16.C19H14.4C18H14.2C17H14/c1-2-6-17-12-23-15-21(10-9-20(23)11-16(17)5-1)22-13-18-7-3-4-8-19(18)14-22;1-2-6-14(5-1)16-10-17-12-19-9-15-7-3-4-8-20(15)21(19)13-18(17)11-16;1-2-6-14(5-1)15-9-10-19-17(11-15)13-21-18-8-4-3-7-16(18)12-20(19)21;1-2-5-13(6-3-1)15-9-16-12-19-17-8-4-7-14(17)10-20(19)18(16)11-15;1-2-6-14(5-1)17-9-10-18-11-15-7-3-4-8-16(15)12-19(18)13-17;1-2-6-13(5-1)16-11-17-9-14-7-3-4-8-15(14)10-18(17)12-16;1-2-6-13(5-1)14-9-10-16-11-15-7-3-4-8-17(15)18(16)12-14;2*1-2-5-13(4-1)16-8-9-17-10-14-6-3-7-15(14)11-18(17)12-16;1-2-5-12(4-1)13-8-9-17-15(10-13)11-14-6-3-7-16(14)17;1-2-5-12(6-3-1)14-10-15-9-13-7-4-8-16(13)17(15)11-14/h1-13,15H,14H2;1-5,7-8,10,12-13H,6,9,11H2;1-5,7-11H,6,12-13H2;1-7,9H,8,10-12H2;1-5,7-13H,6H2;1-5,7-11H,6,12H2;1-5,7-10,12H,6,11H2;2*1-4,7-12H,5-6H2;1-4,6,8-10H,5,7,11H2;1-7,10H,8-9,11H2 |
| InChIKey | ZGRMEVDUCFYAAU-UHFFFAOYSA-N |
| XLogP | 54.19 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 11 |
| Heavy Atoms | 210 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2685.61 |
| LogP ≤ 5 | 54.19 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'} |
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