5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-(3-(1,2,5,6-tetrahydropyridino)propylidene)-
Basic information
- CAS
4687-47-2- Standard SMILES
C1=C(CCC=C2c3ccccc3CCc3ccccc32)CNCC1- InChIKey
SNUQTJCQTYFDTE-UHFFFAOYSA-N- Molecular formula
- C23H25N
- Average molar mass
- 315.5 g/mol
- Monoisotopic mass
- 315.1986998
Names & identifiers
- Preferred name
- 5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-(3-(1,2,5,6-tetrahydropyridino)propylidene)-
- IUPAC
- 5-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]-1,2,3,6-tetrahydropyridine
- English name
- 1-[3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)propyl]-1,2,5,6-tetrahydropyridine
- Molecular formula
- C23H25N
- Molecular weight
- 315.45
Names & synonyms
BRN 13515514687-47-25H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-(3-(1,2,5,6-tetrahydropyridino)propylidene)-DTXSID7019696910,11-Dihydro-5-(3-(1,2,5,6-tetrahydropyridino)propylidene)-5H-dibenzo(a,d)cycloheptene5-20-04-00283 (Beilstein Handbook Reference)RefChem:305553DTXCID601194601-[3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)propyl]-1,2,5,6-tetrahydropyridine5-[3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)propyl]-1,2,3,6-tetrahydropyridinePyridine, 1-[3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)propyl]-1,2,3,6-tetrahydro-
Database identifiers
- CAS
4687-47-2- PubChem CID
- 20816
- DTXSID
DTXSID70196969
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 448
Physicochemical properties
- Boiling point
- 469.6 · 469.6±24.0 °C(Predicted)
- Density
- 1.109 · 1.109±0.06 g/cm3(Predicted)
- pka
- 8.47 · 8.47±0.20(Predicted)
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Compound notes
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