4-Iodo-2,5,7-trinitro-9h-fluoren-9-one-triphenylene(1:1)

HCID 263240

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Basic information

CAS: 1064-64-8
Standard SMILES: O=C1c2cc([N+](=O)[O-])cc(I)c2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-].c1ccc2c(c1)c1ccccc1c1ccccc21
InChIKey: OCDDPPOATGTKJP-UHFFFAOYSA-N
Molecular formula: C31H16IN3O7
Average molar mass: 669.4 g/mol
Monoisotopic mass: 669.0033

Names & identifiers

Preferred name: 4-Iodo-2,5,7-trinitro-9h-fluoren-9-one-triphenylene(1:1)
IUPAC: 4-iodo-2,5,7-trinitrofluoren-9-one;triphenylene

Names & synonyms

1064-64-84-iodo-2,5,7-trinitro-9h-fluoren-9-one- triphenylene(1:1)NSC97625DTXSID90294678NSC-976254-Iodo-2,5,7-trinitro-9H-fluoren-9-one--triphenylene (1/1)

Database identifiers

CAS: 1064-64-8
PubChem CID: 263240
DTXSID: DTXSID90294678

Properties

Computed structural properties

Topological polar surface area: 155 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 0
Heavy atoms: 42
Formal charge: 0
Complexity: 815

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