4,4',4'',4'''-(Pyrene-1,3,6,8-tetrayltetrakis(ethyne-2,1-diyl))tetrabenzaldehyde
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CAS Number 2438216-59-0
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Catalog Number io-406881
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Molecular Weight 714.8000
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SMILES
| Size | QTY | Notes | |
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| 1 | 4,4',4'',4'''-(Pyrene-1,3,6,8-tetrayltetrakis(ethyne-2,1-diyl))tetrabenzaldehyde |
| 2 | H42360 |
| Molecular Formula | C52H26O4 |
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| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 714.8000 |
| InChIKey | YMUHRYZFAYRYCD-UHFFFAOYSA-N |
| InChI | InChI=1S/C52H26O4/c53-31-39-9-1-35(2-10-39)17-21-43-29-44(22-18-36-3-11-40(32-54)12-4-36)48-27-28-50-46(24-20-38-7-15-42(34-56)16-8-38)30-45(49-26-25-47(43)51(48)52(49)50)23-19-37-5-13-41(33-55)14-6-37/h1-16,25-34H |
| XLogP | 11.0000 |
| ExactMass | 714.1831 |
| MonoisotopicMass | 714.1831 |
| TPSA | 68.3000 |
| Complexity | 1450.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 4 |
| RotatableBondCount | 12 |
| HeavyAtomCount | 56 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 0 |
| PatentFamilyCount | 0 |
| LiteratureCount | 0 |
