F6Q

N,N-pyridylbenzimidazole derivative-Pd complex

Created:	2018-06-04
Last modified:	2018-07-25

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2 entries where F6Q is found as a standalone ligand

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Chemical Details
Formal Charge	2
Atom Count	40
Chiral Atom Count	0
Bond Count	43
Aromatic Bond Count	16

2D diagram of F6Q

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Chemical Component Summary
Name	N,N-pyridylbenzimidazole derivative-Pd complex
Formula	C₁₅ H₁₅ Cl₂ N₃ O₃ Pd S
Molecular Weight	494.689
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O[S](=O)(=O)CCCn1c2ccccc2[n+]3c1c4cccc[n+]4[Pd]3(Cl)Cl
SMILES	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)n(c-3[n+]2[Pd]([n+]4c3cccc4)(Cl)Cl)CCCS(=O)(=O)O
Canonical SMILES	CACTVS	3.385	O[S](=O)(=O)CCCn1c2ccccc2[n+]3c1c4cccc[n+]4[Pd]3(Cl)Cl
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)n(c-3[n+]2[Pd]([n+]4c3cccc4)(Cl)Cl)CCCS(=O)(=O)O
InChI	InChI	1.03	InChI=1S/C15H15N3O3S.2ClH.Pd/c19-22(20,21)11-5-10-18-14-8-2-1-6-12(14)17-15(18)13-7-3-4-9-16-13;;;/h1-4,6-9H,5,10-11H2,(H,19,20,21);2*1H;/q;;;+4/p-2
InChIKey	InChI	1.03	DTXSGQZIKSCPLR-UHFFFAOYSA-L

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