Basic information
- Standard SMILES
N#CCCn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)NC3- InChIKey
OYIIOLJNSPALSW-UHFFFAOYSA-N- Molecular formula
- C23H16N4O
- Average molar mass
- 364.4 g/mol
- Monoisotopic mass
- 364.13241115
Names & identifiers
- Preferred name
- Ngic-I
- IUPAC
- 3-(14-oxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)propanenitrile
Names & synonyms
NGIC-I136194-76-83-(5-oxo-6,7-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-12(13H)-yl)propanenitrileCHEMBL2927463-(14-oxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)propanenitrile3-(oxo[?]yl)propanenitrileSCHEMBL4881551SCHEMBL30078317OYIIOLJNSPALSW-UHFFFAOYSA-NBDBM502808773-(1-Oxoindolo[2,3-a]3-pyrrolino[3,4-c]carbazol-8-yl)propanenitrile12-(2-Cyanoethyl)-6,7,12,13-tetrahydro-5-oxo-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole
Show more names
2-(5-oxo-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-12-yl)ethyl cyanide3-(5-Oxo-5,6,7,13-tetrahydro-12H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-12-yl)propanenitrile
Database identifiers
- PubChem CID
- 3714
- ChEMBL
CHEMBL292746- Nikkaji
- J1.758.664E
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 700
Related reactions
3 records
Compound notes
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