2-[(E)-3-[4-[(E)-3-(2-oxidophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenolate;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));dihexafluorophosphate

C64H48F12N8O4P2Ru2 — CID 11980895

IUPAC2-[(E)-3-[4-[(E)-3-(2-oxidophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenolate;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));dihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O=C(/C=C/c1ccc(/C=C/C(=O)c2ccccc2[O-])cc1)c1ccccc1[O-].[Ru+2].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C24H18O4.4C10H8N2.2F6P.2Ru/c25-21-7-3-1-5-19(21)23(27)15-13-17-9-11-18(12-10-17)14-16-24(28)20-6-2-4-8-22(20)26;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-7(2,3,4,5)6;;/h1-16,25-26H;4*1-8H;;;;/q;;;;;2*-1;2*+2/p-2/b15-13+,16-14+;;;;;;;;
InChIKeyDYVMBYNIUVGGNY-VDBQKYQPSA-L
MW1485.20 g/mol
LogP18.96
Rot. Bonds10

About 2-[(E)-3-[4-[(E)-3-(2-oxidophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenolate;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));dihexafluorophosphate

2-[(E)-3-[4-[(E)-3-(2-oxidophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenolate;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));dihexafluorophosphate (PubChem CID 11980895) has the molecular formula C64H48F12N8O4P2Ru2 and a molecular weight of 1485.20 g/mol. Its IUPAC name is 2-[(E)-3-[4-[(E)-3-(2-oxidophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenolate;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));dihexafluorophosphate.

Molecular Properties

Compound Name2-[(E)-3-[4-[(E)-3-(2-oxidophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenolate;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));dihexafluorophosphate
PubChem CID11980895
Molecular FormulaC64H48F12N8O4P2Ru2
Molecular Weight1485.20 g/mol
Exact Mass1486.12
IUPAC Name2-[(E)-3-[4-[(E)-3-(2-oxidophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenolate;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));dihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O=C(/C=C/c1ccc(/C=C/C(=O)c2ccccc2[O-])cc1)c1ccccc1[O-].[Ru+2].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C24H18O4.4C10H8N2.2F6P.2Ru/c25-21-7-3-1-5-19(21)23(27)15-13-17-9-11-18(12-10-17)14-16-24(28)20-6-2-4-8-22(20)26;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-7(2,3,4,5)6;;/h1-16,25-26H;4*1-8H;;;;/q;;;;;2*-1;2*+2/p-2/b15-13+,16-14+;;;;;;;;
InChIKeyDYVMBYNIUVGGNY-VDBQKYQPSA-L
XLogP18.96
TPSA183.38 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001485.20
LogP ≤ 518.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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

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[2-(2-Dipyridin-2-yloxyphosphanyloxybenzoyl)phenyl] dipyridin-2-yl phosphite
CID 58931662
[2-(2-Dipyridin-3-yloxyphosphanyloxybenzoyl)phenyl] dipyridin-3-yl phosphite
CID 58931765
2-[[Bis(2-pyridin-2-ylethyl)amino]methyl]phenol;ethane;2-hydroxybenzaldehyde;2-(5-pyridin-2-ylpentyl)pyridine
CID 157503421
1-(Cyclohexylmethoxy)pyridin-1-ium;1-(2-ethylhexoxy)pyridin-1-ium;1-methoxy-2-methylpyridin-1-ium;1-methoxypyridin-1-ium;2-methyl-1-phenylmethoxypyridin-1-ium;1-octoxypyridin-1-ium;1-phenoxypyridin-1-ium;1-phenylmethoxypyridin-1-ium;pyridin-1-ium-1-yl benzoate;pyridin-1-ium-1-yl cyclohexanecarboxylate
CID 158178366
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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-[4-[(E)-3-(2-oxidophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenolate;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));dihexafluorophosphate?
The IUPAC name of 2-[(E)-3-[4-[(E)-3-(2-oxidophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenolate;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));dihexafluorophosphate (CID 11980895) is 2-[(E)-3-[4-[(E)-3-(2-oxidophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenolate;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));dihexafluorophosphate.
What is the SMILES notation for 2-[(E)-3-[4-[(E)-3-(2-oxidophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenolate;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));dihexafluorophosphate?
The canonical SMILES for 2-[(E)-3-[4-[(E)-3-(2-oxidophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenolate;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));dihexafluorophosphate is F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O=C(/C=C/c1ccc(/C=C/C(=O)c2ccccc2[O-])cc1)c1ccccc1[O-].[Ru+2].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 2-[(E)-3-[4-[(E)-3-(2-oxidophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenolate;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));dihexafluorophosphate?
The InChIKey is DYVMBYNIUVGGNY-VDBQKYQPSA-L. The full InChI is InChI=1S/C24H18O4.4C10H8N2.2F6P.2Ru/c25-21-7-3-1-5-19(21)23(27)15-13-17-9-11-18(12-10-17)14-16-24(28)20-6-2-4-8-22(20)26;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-7(2,3,4,5)6;;/h1-16,25-26H;4*1-8H;;;;/q;;;;;2*-1;2*+2/p-2/b15-13+,16-14+;;;;;;;;.
What are the key properties of 2-[(E)-3-[4-[(E)-3-(2-oxidophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenolate;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));dihexafluorophosphate?
2-[(E)-3-[4-[(E)-3-(2-oxidophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenolate;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));dihexafluorophosphate has a molecular weight of 1485.20 g/mol, XLogP of 18.96, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-[4-[(E)-3-(2-oxidophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenolate;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));dihexafluorophosphate is sourced from PubChem (CID 11980895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).