Basic information
- CAS
58892-68-5- Standard SMILES
c1ccc(-c2c(CN3CCN(c4ccccc4)CC3)c3ccccn3c2CN2CCN(c3ccccc3)CC2)cc1- InChIKey
FTBAFQHFYPBQJB-UHFFFAOYSA-N- Molecular formula
- C36H39N5
- Average molar mass
- 541.7 g/mol
- Monoisotopic mass
- 541.32054627
Names & identifiers
- Preferred name
- 1,3-Bis-N-phenylpiperazinomethyl-2-phenylpyrrocoline
- IUPAC
- 2-phenyl-1,3-bis[(4-phenylpiperazin-1-yl)methyl]indolizine
- English name
- 1,3-Bis[(4-phenyl-1-piperazinyl)methyl]-2-phenylindolizine
- Molecular formula
- C36H39N5
- Molecular weight
- 541.73
Names & synonyms
58892-68-5CDRI 70-5299KUY50LKA5INDOLIZINE, 1,3-BIS((4-PHENYL-1-PIPERAZINYL)METHYL)-2-PHENYL-NSC 147968UNII-9KUY50LKA5NSC-1479681,3-Bis((4-phenyl-1-piperazinyl)methyl)-2-phenylindolizineDTXSID102076241,3-Bis-N-phenylpiperazinomethyl-2-phenylpyrrocolineINDOLIZINE, 2-PHENYL-1,3-BIS((4-PHENYL-1-PIPERAZINYL)METHYL)-Indolizine, 2-phenyl-1,3-bis[(4-phenyl-1-piperazinyl)methyl]-
Show more names
CDRI-70-5291,3-Bis[(4-phenyl-1-piperazinyl)methyl]-2-phenylindolizine
RefChem:196763DTXCID601301152-phenyl-1,3-bis[(4-phenylpiperazin-1-yl)methyl]indolizineNSC147968DB-3114371,3-Bis[(4-phenyl-1-piperazinyl)methyl ]-2-phenylindolizine
Database identifiers
- CAS
58892-68-5- PubChem CID
- 42872
- DTXSID
DTXSID10207624
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 17.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 771
Physicochemical properties
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- pka
- 8.01 · 8.01±0.10(Predicted)
- FDA UNII
- 9 KUY50LKA5 · 9KUY50LKA5
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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