Basic information
- CAS
15302-99-5- Standard SMILES
c1cc2ccc3ccc[n+]4c3c2[n+](c1)CCC4- InChIKey
VVCUMCOARYCLHE-UHFFFAOYSA-N- Molecular formula
- C15H14N2+2
- Average molar mass
- 222.28 g/mol
- Monoisotopic mass
- 222.11569846
Names & identifiers
- Preferred name
- 6,7-Dihydro-5H-(1,4)diazepino(1,2,3,4-lmn)-1,10-phenanthrolinediium
- IUPAC
- 1,5-diazoniatetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),5,7,9(17),10,12(16),13-heptaene
- English name
- N,N'-Trimethylene-1,10-*phenanthrolinium dibromide
- Molecular formula
- C15H14N2.2Br
- Molecular weight
- 382.098
Names & synonyms
15302-99-56,7-Dihydro-5H-(1,4)diazepino(1,2,3,4-lmn)-1,10-phenanthrolinediiumNSC 138359DTXSID801652026,7-Dihydro-5H-[1,4]diazepino[1,2,3,4-lmn]-1,10-phenanthrolinediiumRefChem:306151DTXCID10876931,5-diazoniatetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),5,7,9(17),10,12(16),13-heptaeneN,N'-TRIMETHYLENE-1,10-*PHENANTHROLINIUM DIBROMIDESCHEMBL100052966,7-Dihydro-5H-[1,4]diazepino[1,2,3,4-lmn][1,10]phenanthroline-4,8-diiumLSLXHGOHQCKZJA-UHFFFAOYSA-L
Show more names
N,N'-trimethylene-1,10-*phenanthrolinium dibromidN,N'-Trimethylene-1,10-*phenanthrolinium dibromide6,7-dihydro-5H-[1,4]diazepino[1,2,3,4-lmn][1,10]phenanthroline-4,8-diium bromide1lambda5,5lambda5-diazatetracyclo[7.6.2.0^{5,17}.0^{12,16}]heptadeca-1(15),5,7,9(17),10,12(16),13-heptaene-1,5-bis(ylium) dibromide
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 7.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 2
- Complexity
- 263
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
南京世洲生物科技有限公司13675144456 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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