Phenanthridinium, 3,8-diamino-5-(3-(diethylamino)propyl)-6-phenyl-

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Basic information

CAS: 68613-50-3
Standard SMILES: CCN(CC)CCC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21
InChIKey: JAYJXYPFWSPIKN-UHFFFAOYSA-O
Molecular formula: C26H31N4+
Average molar mass: 399.6 g/mol
Monoisotopic mass: 399.25487201

Names & identifiers

Preferred name: Phenanthridinium, 3,8-diamino-5-(3-(diethylamino)propyl)-6-phenyl-
IUPAC: 5-[3-(diethylamino)propyl]-6-phenylphenanthridin-5-ium-3,8-diamine

Names & synonyms

68613-50-3Phenanthridinium, 3,8-diamino-5-(3-(diethylamino)propyl)-6-phenyl-SCHEMBL6726390SCHEMBL29763042DTXSID402187083,8-Diamino-5-[3-(diethylamino)propyl]-6-phenylphenanthridin-5-ium

Database identifiers

CAS: 68613-50-3
PubChem CID: 153045
DTXSID: DTXSID40218708

Properties

Computed structural properties

XLogP: 4.9
Topological polar surface area: 59.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 30
Formal charge: 1
Complexity: 515

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Compound notes

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