1,3-Di-9H-xanthen-9-ylurea
Basic information
- CAS
3746-45-0- Standard SMILES
O=C(NC1c2ccccc2Oc2ccccc21)NC1c2ccccc2Oc2ccccc21- InChIKey
XWEYDSIYIFOLQK-UHFFFAOYSA-N- Molecular formula
- C27H20N2O3
- Average molar mass
- 420.5 g/mol
- Monoisotopic mass
- 420.1473925
Names & identifiers
- Preferred name
- 1,3-Di-9H-xanthen-9-ylurea
- IUPAC
- 1,3-bis(9H-xanthen-9-yl)urea
- English name
- 1,3-di-9H-xanthen-9-ylurea
- Molecular formula
- C27H20N2O3
- Molecular weight
- 420.46
Names & synonyms
1,3-Di-9H-xanthen-9-ylurea3746-45-0Urea, N,N'-di-9H-xanthen-9-yl-1,3-bis(9H-xanthen-9-yl)ureaEINECS 223-140-6DixanthylharnstoffOprea1_364076Oprea1_8426257QM8S855YZSCHEMBL2893619N,N'-Di-9H-xanthen-9-ylurea1,3-di(9H-xanthen-9-yl)urea
Show more names
DTXSID40190898N,N'-Di(9H-xanthen-9-yl)ureaXWEYDSIYIFOLQK-UHFFFAOYSA-NSTK035178AKOS002233864NS00030199ST45024851N-xanthen-9-yl(xanthen-9-ylamino)carboxamide
Database identifiers
- CAS
3746-45-0- PubChem CID
- 77349
- DTXSID
DTXSID40190898- UNII
- 7QM8S855YZ
- EC Number
- 223-140-6
- Nikkaji
- J217.642D
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 573
Physicochemical properties
- Melting point
- 250 · 250-258 °C (decomp)
- Boiling point
- 630.2 · 630.2±55.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 12.46 · 12.46±0.20(Predicted)
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Compound notes
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