2-[(E)-3-phenylprop-2-enoyl]phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate

C35H27F6N4O2PRu — CID 6481870

IUPAC2-[(E)-3-phenylprop-2-enoyl]phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.O=C(/C=C/c1ccccc1)c1ccccc1[O-].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C15H12O2.2C10H8N2.F6P.Ru/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-7(2,3,4,5)6;/h1-11,16H;2*1-8H;;/q;;;-1;+2/p-1/b11-10+;;;;
InChIKeyAUJBWRHZIWSTBN-RKKUYNIKSA-M
MW781.66 g/mol
LogP10.32
Rot. Bonds5

About 2-[(E)-3-phenylprop-2-enoyl]phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate

2-[(E)-3-phenylprop-2-enoyl]phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate (PubChem CID 6481870) has the molecular formula C35H27F6N4O2PRu and a molecular weight of 781.66 g/mol. Its IUPAC name is 2-[(E)-3-phenylprop-2-enoyl]phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate.

Molecular Properties

Compound Name2-[(E)-3-phenylprop-2-enoyl]phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate
PubChem CID6481870
Molecular FormulaC35H27F6N4O2PRu
Molecular Weight781.66 g/mol
Exact Mass782.08
IUPAC Name2-[(E)-3-phenylprop-2-enoyl]phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.O=C(/C=C/c1ccccc1)c1ccccc1[O-].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C15H12O2.2C10H8N2.F6P.Ru/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-7(2,3,4,5)6;/h1-11,16H;2*1-8H;;/q;;;-1;+2/p-1/b11-10+;;;;
InChIKeyAUJBWRHZIWSTBN-RKKUYNIKSA-M
XLogP10.32
TPSA91.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.66
LogP ≤ 510.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(2-hydroxyphenyl)-3-phenyl-prop-2-en-1-one; 1,10-phenanthroline; ruthenium(2+); hexafluorophosphate
CID 6481871
(E)-1-(2-hydroxyphenyl)-3-[4-[(E)-3-(2-hydroxyphenyl)-3-oxo-prop-1-enyl]phenyl]prop-2-en-1-one; 2-(2-pyridyl)pyridine; ruthenium(2+); dihexafluorophosphate
CID 11980895
(E)-1-(2-hydroxyphenyl)-3-[4-[(E)-3-(2-hydroxyphenyl)-3-oxo-prop-1-enyl]phenyl]prop-2-en-1-one; 1,10-phenanthroline; ruthenium(2+); dihexafluorophosphate
CID 11980896
(2-Hydroxyphenyl)(4,2':4',4''-terpyridin-6'-yl)methanone
CID 168306572
Diaqua{2,6-bis[N-(2-pyridylmethyl)carbamoyl]phenolato-kappa^2^O^1^,O^2^}zinc(II)
CID 168309489
9,10-Dioxoanthracen-1-olate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate
CID 168343507
4-Oxo-2-phenylchromen-3-olate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);tetrafluoroborate
CID 168344484
Bis(2-pyridin-2-ylpyridine);terbium(3+);tribenzoate
CID 18913849
[2-(2-Dipyridin-2-yloxyphosphanyloxybenzoyl)phenyl] dipyridin-2-yl phosphite
CID 58931662
[2-(2-Dipyridin-3-yloxyphosphanyloxybenzoyl)phenyl] dipyridin-3-yl phosphite
CID 58931765
(2Z)-N-methylpenta-2,4-dien-1-imine;methyl(pyridin-2-yloxy)phosphinous acid;[2-(2-propylbenzoyl)phenyl] dipyridin-2-yl phosphite
CID 142850203
6,6'-Spirobi[pyrido[1,2-c][1,2,3]benzoxaselenazin-7-ium]
CID 154591061

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-phenylprop-2-enoyl]phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate?
The IUPAC name of 2-[(E)-3-phenylprop-2-enoyl]phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate (CID 6481870) is 2-[(E)-3-phenylprop-2-enoyl]phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate.
What is the SMILES notation for 2-[(E)-3-phenylprop-2-enoyl]phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate?
The canonical SMILES for 2-[(E)-3-phenylprop-2-enoyl]phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate is F[P-](F)(F)(F)(F)F.O=C(/C=C/c1ccccc1)c1ccccc1[O-].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 2-[(E)-3-phenylprop-2-enoyl]phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate?
The InChIKey is AUJBWRHZIWSTBN-RKKUYNIKSA-M. The full InChI is InChI=1S/C15H12O2.2C10H8N2.F6P.Ru/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-7(2,3,4,5)6;/h1-11,16H;2*1-8H;;/q;;;-1;+2/p-1/b11-10+;;;;.
What are the key properties of 2-[(E)-3-phenylprop-2-enoyl]phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate?
2-[(E)-3-phenylprop-2-enoyl]phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate has a molecular weight of 781.66 g/mol, XLogP of 10.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-phenylprop-2-enoyl]phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate is sourced from PubChem (CID 6481870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).