chlororuthenium;2-[4-(dimethylamino)-2-pyridinyl]-N,N-dimethylpyridin-4-amine;4-naphthalen-2-yl-2,6-dipyridin-2-ylpyridine;hexafluorophosphate

C39H35ClF6N7PRu- — CID 155388062

IUPACchlororuthenium;2-[4-(dimethylamino)-2-pyridinyl]-N,N-dimethylpyridin-4-amine;4-naphthalen-2-yl-2,6-dipyridin-2-ylpyridine;hexafluorophosphate
SMILESCN(C)c1ccnc(-c2cc(N(C)C)ccn2)c1.Cl[Ru].F[P-](F)(F)(F)(F)F.c1ccc(-c2cc(-c3ccc4ccccc4c3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C25H17N3.C14H18N4.ClH.F6P.Ru/c1-2-8-19-15-20(12-11-18(19)7-1)21-16-24(22-9-3-5-13-26-22)28-25(17-21)23-10-4-6-14-27-23;1-17(2)11-5-7-15-13(9-11)14-10-12(18(3)4)6-8-16-14;;1-7(2,3,4,5)6;/h1-17H;5-10H,1-4H3;1H;;/q;;;-1;+1/p-1
InChIKeyVHFYDVPTRDZGIY-UHFFFAOYSA-M
MW883.24 g/mol
LogP12.37
Rot. Bonds6

About chlororuthenium;2-[4-(dimethylamino)-2-pyridinyl]-N,N-dimethylpyridin-4-amine;4-naphthalen-2-yl-2,6-dipyridin-2-ylpyridine;hexafluorophosphate

chlororuthenium;2-[4-(dimethylamino)-2-pyridinyl]-N,N-dimethylpyridin-4-amine;4-naphthalen-2-yl-2,6-dipyridin-2-ylpyridine;hexafluorophosphate (PubChem CID 155388062) has the molecular formula C39H35ClF6N7PRu- and a molecular weight of 883.24 g/mol. Its IUPAC name is chlororuthenium;2-[4-(dimethylamino)-2-pyridinyl]-N,N-dimethylpyridin-4-amine;4-naphthalen-2-yl-2,6-dipyridin-2-ylpyridine;hexafluorophosphate.

Molecular Properties

Compound Namechlororuthenium;2-[4-(dimethylamino)-2-pyridinyl]-N,N-dimethylpyridin-4-amine;4-naphthalen-2-yl-2,6-dipyridin-2-ylpyridine;hexafluorophosphate
PubChem CID155388062
Molecular FormulaC39H35ClF6N7PRu-
Molecular Weight883.24 g/mol
Exact Mass883.13
IUPAC Namechlororuthenium;2-[4-(dimethylamino)-2-pyridinyl]-N,N-dimethylpyridin-4-amine;4-naphthalen-2-yl-2,6-dipyridin-2-ylpyridine;hexafluorophosphate
SMILESCN(C)c1ccnc(-c2cc(N(C)C)ccn2)c1.Cl[Ru].F[P-](F)(F)(F)(F)F.c1ccc(-c2cc(-c3ccc4ccccc4c3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C25H17N3.C14H18N4.ClH.F6P.Ru/c1-2-8-19-15-20(12-11-18(19)7-1)21-16-24(22-9-3-5-13-26-22)28-25(17-21)23-10-4-6-14-27-23;1-17(2)11-5-7-15-13(9-11)14-10-12(18(3)4)6-8-16-14;;1-7(2,3,4,5)6;/h1-17H;5-10H,1-4H3;1H;;/q;;;-1;+1/p-1
InChIKeyVHFYDVPTRDZGIY-UHFFFAOYSA-M
XLogP12.37
TPSA70.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.24
LogP ≤ 512.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

2-[6-[4-(dimethylamino)-2-pyridinyl]-2-pyridinyl]-N,N-dimethylpyridin-4-amine
CID 11045401
4-(3,5-ditert-butylphenyl)-2-naphthalen-2-yl-6-pyridin-2-ylpyridine
CID 132607748
bis(N,N-dimethyl-4-pyridin-2-ylaniline);osmium;1,10-phenanthroline;hexafluorophosphate
CID 71715003
4-(6-phenanthren-9-ylnaphthalen-2-yl)-2,6-dipyridin-2-ylpyridine
CID 166685120
4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 102048585
4-(3,4-dimethylphenyl)-2,6-dipyridin-2-ylpyridine
CID 102129587
chloroplatinum(1+);4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;chloride
CID 165430889
2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-[2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
CID 15448140
2-pyridin-2-yl-4-[4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]pyridine
CID 10389614
2,4-diphenyl-6-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]-1,3,5-triazine
CID 164817157
ethane;4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine
CID 142185712
4-(4-chlorophenyl)-2,6-dipyridin-2-ylpyridine
CID 10871645

Frequently Asked Questions

What is the IUPAC name of chlororuthenium;2-[4-(dimethylamino)-2-pyridinyl]-N,N-dimethylpyridin-4-amine;4-naphthalen-2-yl-2,6-dipyridin-2-ylpyridine;hexafluorophosphate?
The IUPAC name of chlororuthenium;2-[4-(dimethylamino)-2-pyridinyl]-N,N-dimethylpyridin-4-amine;4-naphthalen-2-yl-2,6-dipyridin-2-ylpyridine;hexafluorophosphate (CID 155388062) is chlororuthenium;2-[4-(dimethylamino)-2-pyridinyl]-N,N-dimethylpyridin-4-amine;4-naphthalen-2-yl-2,6-dipyridin-2-ylpyridine;hexafluorophosphate.
What is the SMILES notation for chlororuthenium;2-[4-(dimethylamino)-2-pyridinyl]-N,N-dimethylpyridin-4-amine;4-naphthalen-2-yl-2,6-dipyridin-2-ylpyridine;hexafluorophosphate?
The canonical SMILES for chlororuthenium;2-[4-(dimethylamino)-2-pyridinyl]-N,N-dimethylpyridin-4-amine;4-naphthalen-2-yl-2,6-dipyridin-2-ylpyridine;hexafluorophosphate is CN(C)c1ccnc(-c2cc(N(C)C)ccn2)c1.Cl[Ru].F[P-](F)(F)(F)(F)F.c1ccc(-c2cc(-c3ccc4ccccc4c3)cc(-c3ccccn3)n2)nc1.
What is the InChIKey of chlororuthenium;2-[4-(dimethylamino)-2-pyridinyl]-N,N-dimethylpyridin-4-amine;4-naphthalen-2-yl-2,6-dipyridin-2-ylpyridine;hexafluorophosphate?
The InChIKey is VHFYDVPTRDZGIY-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H17N3.C14H18N4.ClH.F6P.Ru/c1-2-8-19-15-20(12-11-18(19)7-1)21-16-24(22-9-3-5-13-26-22)28-25(17-21)23-10-4-6-14-27-23;1-17(2)11-5-7-15-13(9-11)14-10-12(18(3)4)6-8-16-14;;1-7(2,3,4,5)6;/h1-17H;5-10H,1-4H3;1H;;/q;;;-1;+1/p-1.
What are the key properties of chlororuthenium;2-[4-(dimethylamino)-2-pyridinyl]-N,N-dimethylpyridin-4-amine;4-naphthalen-2-yl-2,6-dipyridin-2-ylpyridine;hexafluorophosphate?
chlororuthenium;2-[4-(dimethylamino)-2-pyridinyl]-N,N-dimethylpyridin-4-amine;4-naphthalen-2-yl-2,6-dipyridin-2-ylpyridine;hexafluorophosphate has a molecular weight of 883.24 g/mol, XLogP of 12.37, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for chlororuthenium;2-[4-(dimethylamino)-2-pyridinyl]-N,N-dimethylpyridin-4-amine;4-naphthalen-2-yl-2,6-dipyridin-2-ylpyridine;hexafluorophosphate is sourced from PubChem (CID 155388062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).