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5-Phenyldipyrromethane

CAT: 0024-sc-262708ASize: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-262708ASize:1 g
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CAS Number
107798-98-1

Chemical Information

5-Phenyldipyrromethane
CAS Number107798-98-1
PubChem CID4327513
IUPAC Name2-[phenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrole
Molecular FormulaC15H14N2
Molecular Weight222.28
XLogP2.9
Topological Polar Surface Area31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count0
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity219
SMILES
C1=CC=C(C=C1)C(C2=CC=CN2)C3=CC=CN3
InChI
InChI=1S/C15H14N2/c1-2-6-12(7-3-1)15(13-8-4-10-16-13)14-9-5-11-17-14/h1-11,15-17H
InChIKey
ODOQKWUKLACHRO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Phenyldipyrromethane
CAS: 107798-98-1
CID: 4327513
Formula: C15H14N2
MW: 222.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight222.28
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count0
Rotatable Bond Count3
Exact Mass222.115698455
Monoisotopic Mass222.115698455
Topological Polar Surface Area31.6 Ų
Heavy Atom Count17
Formal Charge0
Complexity219
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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