9-(3-(3,5-Dinitrobenzoylamino)propyl)-1,2,3,4-tetrahydrocarbazole
Basic information
- CAS
27164-56-3- Standard SMILES
O=C(NCCCn1c2c(c3ccccc31)CCCC2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1- InChIKey
XUCYUJTZKJXOSL-UHFFFAOYSA-N- Molecular formula
- C22H22N4O5
- Average molar mass
- 422.4 g/mol
- Monoisotopic mass
- 422.15901982
Names & identifiers
- Preferred name
- 9-(3-(3,5-Dinitrobenzoylamino)propyl)-1,2,3,4-tetrahydrocarbazole
- IUPAC
- 3,5-dinitro-N-[3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]benzamide
- English name
- 3,5-Dinitro-N-[3-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)propyl]benzamide
- Molecular formula
- C22H22N4O5
- Molecular weight
- 422.43
Names & synonyms
3,5-Dinitro-N-[3-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)propyl]benzamide9-(3-(3,5-Dinitrobenzoylamino)propyl)-1,2,3,4-tetrahydrocarbazoleDTXSID10348304XUCYUJTZKJXOSL-UHFFFAOYSA-N3,5-dinitro-N-[3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]benzamide27164-56-3Q63395977Benzamide, 3,5-dinitro-N-[3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]-3,5-DINITRO-N-(3-(1,2,3,4-TETRAHYDRO-9-CARBAZOLYL)PROPYL)BENZAMIDEBenzamide, 3,5-dinitro-N-[3-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)propyl]-9-[3-(3,5-Dinitrophenylcarbonylamino)propyl]-1,2,3,4-tetrahydro-9H-carbazole
Database identifiers
- CAS
27164-56-3- PubChem CID
- 634564
- DTXSID
DTXSID10348304- Nikkaji
- J182.450C
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 656
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