Basic information
- CAS
120154-96-3- Standard SMILES
c1ccc2c(c1)nc1c3nc4ccccc4c4ccnc(c5nccc2c51)c43- InChIKey
XLONQTAYDCFVPP-UHFFFAOYSA-N- Molecular formula
- C24H12N4
- Average molar mass
- 356.4 g/mol
- Monoisotopic mass
- 356.1061964
Overview
Eilatin has been reported in Eudistoma and Cystodytes with data available.
Names & identifiers
- Preferred name
- Eilatine
- IUPAC
- 3,13,16,26-tetrazaheptacyclo[13.11.1.12,10.04,9.019,27.020,25.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19(27),20,22,24-tetradecaene
- English name
- eilatine
- Molecular formula
- C24H12N4
- Molecular weight
- 356.38
Names & synonyms
EilatinEilatine120154-96-33,13,16,26-tetrazaheptacyclo[13.11.1.12,10.04,9.019,27.020,25.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19(27),20,22,24-tetradecaene3,13,16,26-tetrazaheptacyclo(13.11.1.12,10.04,9.019,27.020,25.014,28)octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19(27),20,22,24-tetradecaeneRefChem:136402Dibenzo[b,j]dipyrido[4,3,2-de:2',3',4'-gh][1,10]phenanthrolineIsoeilatinDibenzo(b,j)dipyrido(4,3,2-de:2',3',4'-gh)(1,10)phenanthrolineCHEMBL127811orb1738224SCHEMBL5048991
Show more names
DTXSID40923249
Database identifiers
- CAS
120154-96-3- PubChem CID
- 149352
- DTXSID
DTXSID40923249
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 557
Physicochemical properties
- Boiling point
- 675.4 · 675.4±25.0 °C(Predicted)
- Density
- 1.502 · 1.502±0.06 g/cm3(Predicted)
- pka
- -2.5 · -2.50±0.40(Predicted)
Chemistry & industry
Suppliers1 total
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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