RU8

bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[2-iodo-N-(1,10-phenanthrolin-5-yl-kappa~2~N~1~,N~10~)acetamide]ruthenium(2+)

Created:	2010-07-20
Last modified:	2024-09-27

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3 entries where RU8 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	2
Atom Count	70
Chiral Atom Count	0
Bond Count	79
Aromatic Bond Count	42

2D diagram of RU8

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Chemical Component Summary
Name	bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[2-iodo-N-(1,10-phenanthrolin-5-yl-kappa~2~N~1~,N~10~)acetamide]ruthenium(2+)
Systematic Name (OpenEye OEToolkits)	n/a
Formula	C₃₄ H₂₆ I N₇ O Ru
Molecular Weight	776.591
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	ICC(=O)Nc1cc7c6c2c1cccn2[Ru+2]%105(n3ccccc3c4ccccn45)(n6ccc7)n8ccccc8c9ccccn9%10
SMILES	CACTVS	3.370	[Ru++]\|1\|2\|3(\|n4ccccc4c5ccccn\|15)(\|n6ccccc6c7ccccn\|27)\|n8cccc9cc(NC(=O)CI)c%10cccn\|3c%10c89
SMILES	OpenEye OEToolkits	1.7.0	c1c2c3c4c(c1NC(=O)CI)C=CC=[N]4[Ru+2]56([N]3=CC=C2)([N]7=C(C=CC=C7)C8=[N]5C=CC=C8)[N]9=C(C=CC=C9)C1=CC=CC=[N]61
Canonical SMILES	CACTVS	3.370	[Ru++]\|1\|2\|3(\|n4ccccc4c5ccccn\|15)(\|n6ccccc6c7ccccn\|27)\|n8cccc9cc(NC(=O)CI)c%10cccn\|3c%10c89
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1c2c3c4c(c1NC(=O)CI)C=CC=[N]4[Ru+2]56([N]3=CC=C2)([N]7=C(C=CC=C7)C8=[N]5C=CC=C8)[N]9=C(C=CC=C9)C1=CC=CC=[N]61
InChI	InChI	1.03	InChI=1S/C14H10IN3O.2C10H8N2.Ru/c15-8-12(19)18-11-7-9-3-1-5-16-13(9)14-10(11)4-2-6-17-14;21-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-7H,8H2,(H,18,19);21-8H;/q;;;+2
InChIKey	InChI	1.03	IMVNBPJSKRZLRT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	49867618

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