MitoBADY

CAT: 0127-OR1079365-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1079365-02Size:25 mg

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CAS Number

1644119-76-5

Synonyms

Triphenyl[4- (phenylbuta-1,3-diyn-1-yl) benzyl]phosphonium Iodide / Triphenyl[4- (4-phenyl-1,3-butadiyn-1-yl) benzyl]phosphonium Iodide

Purity

>98.0%

Smiles

C1=CC=C (C=C1) C#CC#CC2=CC=C (C=C2) C[P+] (C3=CC=CC=C3) (C4=CC=CC=C4) C5=CC=CC=C5.[I-]

Chemical Information

MitoBADY

CAS Number	1644119-76-5
PubChem CID	154730921
IUPAC Name	triphenyl-[[4-(4-phenylbuta-1,3-diynyl)phenyl]methyl]phosphanium iodide
Molecular Formula	C35H26IP
Molecular Weight	604.5
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	8
Heavy Atom Count	37
Formal Charge	0
Complexity	735

SMILES

C1=CC=C(C=C1)C#CC#CC2=CC=C(C=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[I-]

InChI

InChI=1S/C35H26P.HI/c1-5-15-30(16-6-1)17-13-14-18-31-25-27-32(28-26-31)29-36(33-19-7-2-8-20-33,34-21-9-3-10-22-34)35-23-11-4-12-24-35;/h1-12,15-16,19-28H,29H2;1H/q+1;/p-1

InChIKey

UUOLSGIFWSDQDZ-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 1644119-76-5

CID: 154730921

Formula: C35H26IP

MW: 604.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	604.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	8
Exact Mass	604.08169
Monoisotopic Mass	604.08169
Topological Polar Surface Area	0 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	735
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBS5782949-01	MitoBADY

MitoBADY

Chemical Information

Alternative Products

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