tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate

C36H36F12N6P2Ru — CID 15198704

IUPACtris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate
SMILESCc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2]
InChIInChI=1S/3C12H12N2.2F6P.Ru/c3*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;2*1-7(2,3,4,5)6;/h3*3-8H,1-2H3;;;/q;;;2*-1;+2
InChIKeyYTWDDICTMKIOIQ-UHFFFAOYSA-N
MW943.72 g/mol
LogP15.04
Rot. Bonds3

About tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate

tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate (PubChem CID 15198704) has the molecular formula C36H36F12N6P2Ru and a molecular weight of 943.72 g/mol. Its IUPAC name is tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate.

Molecular Properties

Compound Nametris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate
PubChem CID15198704
Molecular FormulaC36H36F12N6P2Ru
Molecular Weight943.72 g/mol
Exact Mass944.13
IUPAC Nametris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate
SMILESCc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2]
InChIInChI=1S/3C12H12N2.2F6P.Ru/c3*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;2*1-7(2,3,4,5)6;/h3*3-8H,1-2H3;;;/q;;;2*-1;+2
InChIKeyYTWDDICTMKIOIQ-UHFFFAOYSA-N
XLogP15.04
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500943.72
LogP ≤ 515.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,3,5,6-Tetrakis(2-pyridyl)pyrazine
CID 3034360
Nemertelline
CID 3042423
4'-(4-Pyridyl)-2,2':6',2''-terpyridine
CID 11438308
2,6-Bis(2-pyridyl)-4-phenylpyridine
CID 4407216
2,2':4',2''-Terpyridine, 6'-(2-pyridinyl)-
CID 9972674
4'-(4-Methylphenyl)-2,2'-6',2''-terpyridine
CID 146114
1~4~,2~4~,3~4~-Tri-tert-butyl-1~2~,2~2~:2~6~,3~2~-terpyridine
CID 4229824
Tris[2,2'-bipyridine]ruthenium dichloride
CID 84353
1-[[3,5-Bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]-4-[1-[[3-[[4-[4-[[3,5-bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]phenyl]pyridin-1-ium-1-yl]methyl]-5-[[4-[1-[[3,5-bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium heptadecahexafluorophosphate
CID 46889633
1-[3,5-Bis[[4-[1-[[3,5-bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]-4-[1-[3,5-bis[[4-[1-[[3,5-bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium hexacosahexafluorophosphate
CID 46889635
1,19,37,55-Tetrazoniapentacyclo[67.3.1.115,19.133,37.151,55]hexaheptaconta-1(72),15(76),16,18,33(75),34,36,51(74),52,54,69(73),70-dodecaene tetraiodide
CID 70694113
N,N-bis(pyridin-2-ylmethyl)-1-[6-[5-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)-2-pyridinyl]-3-pyridinyl]methanamine
CID 155533877

Frequently Asked Questions

What is the IUPAC name of tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate?
The IUPAC name of tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate (CID 15198704) is tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate.
What is the SMILES notation for tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate?
The canonical SMILES for tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate is Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].
What is the InChIKey of tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate?
The InChIKey is YTWDDICTMKIOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H12N2.2F6P.Ru/c3*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;2*1-7(2,3,4,5)6;/h3*3-8H,1-2H3;;;/q;;;2*-1;+2.
What are the key properties of tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate?
tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate has a molecular weight of 943.72 g/mol, XLogP of 15.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate is sourced from PubChem (CID 15198704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).