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Pyrene maleimide

CAT: 0127-OR1042210Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-OR1042210Size:1 Each
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CAS Number
1869968-64-8
Purity
98%
Smiles
O=C(NCCN1C(C=CC1=O)=O)CCCC2=C(C3=C45)C=CC5=CC=CC4=CC=C3C=C2

Chemical Information

Pyrene maleimide
CAS Number1869968-64-8
PubChem CID164577556
IUPAC NameN-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-pyren-1-ylbutanamide
Molecular FormulaC26H22N2O3
Molecular Weight410.5
XLogP4.2
Topological Polar Surface Area66.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity729
SMILES
C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCC(=O)NCCN5C(=O)C=CC5=O
InChI
InChI=1S/C26H22N2O3/c29-22(27-15-16-28-23(30)13-14-24(28)31)6-2-3-17-7-8-20-10-9-18-4-1-5-19-11-12-21(17)26(20)25(18)19/h1,4-5,7-14H,2-3,6,15-16H2,(H,27,29)
InChIKey
NWDNAYYVQYRCNM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyrene maleimide
CAS: 1869968-64-8
CID: 164577556
Formula: C26H22N2O3
MW: 410.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.5
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass410.16304257
Monoisotopic Mass410.16304257
Topological Polar Surface Area66.5 Ų
Heavy Atom Count31
Formal Charge0
Complexity729
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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