Agn-PC-00cwjz
Basic information
- CAS
515811-32-2- Standard SMILES
CC(C)(C)P1Cc2ccc3ccccc3c2-c2c(ccc3ccccc23)C1- InChIKey
ZSJGLMPHZYLIKA-UHFFFAOYSA-N- Molecular formula
- C26H25P
- Average molar mass
- 368.4 g/mol
- Monoisotopic mass
- 368.1693878
Names & identifiers
- Preferred name
- Agn-PC-00cwjz
- IUPAC
- 13-tert-butyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
Names & synonyms
AGN-PC-00CWJZ515811-32-2DTXSID00469653RefChem:317544DTXCID504204714-(tert-Butyl)-4,5-dihydro-3H-dinaphtho[2,1-c:1',2'-e]phosphepine(11bR)-4-(tert-Butyl)-4,5-dihydro-3H-dinaphtho[2,1-c:1',2'-e]phosphepine(11bS)-4-(tert-Butyl)-4,5-dihydro-3H-dinaphtho[2,1-c:1',2'-e]phosphepine475992-24-6680220-67-1SCHEMBL66548814-tert-Butyl-4,5-dihydro-3H-dinaphtho[2,1-c:1',2'-e]phosphepine
Database identifiers
- CAS
515811-32-2- PubChem CID
- 11624836
- DTXSID
DTXSID00469653- Nikkaji
- J1.747.279H、J2.231.052F、J2.622.409H
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 479
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Related reactions
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Compound notes
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