Basic information
- CAS
58892-67-4- Standard SMILES
Cc1ccn2c(CN3CCN(c4ccccc4)CC3)c(-c3ccccc3)c(CN3CCN(c4ccccc4)CC3)c2c1- InChIKey
OQOBIWLQHYKUTP-UHFFFAOYSA-N- Molecular formula
- C37H41N5
- Average molar mass
- 555.8 g/mol
- Monoisotopic mass
- 555.33619633
Names & identifiers
- Preferred name
- Indolizine, 1,3-bis((4-phenyl-1-piperazinyl)methyl)-7-methyl-2-phenyl-
- IUPAC
- 7-methyl-2-phenyl-1,3-bis[(4-phenylpiperazin-1-yl)methyl]indolizine
- English name
- 1,3-Bis[(4-phenyl-1-piperazinyl)methyl]-7-methyl-2-phenylindolizine
- Molecular formula
- C37H41N5
- Molecular weight
- 555.75
Names & synonyms
CDRI 71-18658892-67-4INDOLIZINE, 1,3-BIS((4-PHENYL-1-PIPERAZINYL)METHYL)-7-METHYL-2-PHENYL-DTXSID502076231,3-Bis((4-phenyl-1-piperazinyl)methyl)-7-methyl-2-phenylindoliz ineRefChem:349372DTXCID001301147-methyl-2-phenyl-1,3-bis[(4-phenylpiperazin-1-yl)methyl]indolizineDB-3226111,3-BIS[(4-PHENYL-1-PIPERAZINYL)METHYL ]-7-METHYL-2-PHENYLINDOLIZINECDRI-71-1861,3-Bis[(4-phenyl-1-piperazinyl)methyl]-7-methyl-2-phenylindolizine
Show more names
Indolizine, 7-methyl-2-phenyl-1,3-bis[(4-phenyl-1-piperazinyl)methyl]-
Database identifiers
- CAS
58892-67-4- PubChem CID
- 42871
- DTXSID
DTXSID50207623- Nikkaji
- J68.752I
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 17.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 801
Physicochemical properties
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- pka
- 8.02 · 8.02±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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