Ngic-I

HCID 3714

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

Related reactions

3 records

Compound notes

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