Pyrido(2,3,4,5-lmn)phenanthridine-5,10(4H,9H)-dione, 1,3,6,8-tetranitro-
Basic information
- CAS
56181-16-9- Standard SMILES
O=c1[nH]c2c([N+](=O)[O-])cc([N+](=O)[O-])c3c(=O)[nH]c4c([N+](=O)[O-])cc([N+](=O)[O-])c1c4c23- InChIKey
NQJOEKIWOPDIOA-UHFFFAOYSA-N- Molecular formula
- C14H4N6O10
- Average molar mass
- 416.22 g/mol
- Monoisotopic mass
- 415.99889035
Names & identifiers
- Preferred name
- Pyrido(2,3,4,5-lmn)phenanthridine-5,10(4H,9H)-dione, 1,3,6,8-tetranitro-
- IUPAC
- 5,7,12,14-tetranitro-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-3,10-dione
Names & synonyms
Pyrido(2,3,4,5-lmn)phenanthridine-5,10(4H,9H)-dione, 1,3,6,8-tetranitro-56181-16-9NQJOEKIWOPDIOA-UHFFFAOYSA-DTXSID002047234,9-Dihydro-1,3,6,8-tetranitro-pyrido(2,3,4,5-lmn)phenanthridine-5,10-dione1,3,6,8-tetranitro-5,10-dioxo-4,5,9,10-tetrahydro-4,9-diazapyrene1,3,6,8-Tetranitro-4,9-dihydropyrido[2,3,4,5-lmn]phenanthridine-5,10-dioneInChI=1/C14H4N6O10/c21-13-7-3(17(23)24)1-5(19(27)28)11-9(7)10-8(14(22)15-11)4(18(25)26)2-6(20(29)30)12(10)16-13/h1-2H,(H,15,22)(H,16,21)
Database identifiers
- CAS
56181-16-9- PubChem CID
- 5488075
- DTXSID
DTXSID00204723
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 241 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 0
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 787
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