tetrakis(4-phenyl-2,6-dipyridin-2-ylpyridine);tetrakis(propan-2-one);tetrakis(1-(6-pyridin-2-yl-2-pyridinyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine);tetrakis(ruthenium(2+));octahexafluorophosphate

C164H160F48N32O4P8Ru4 — CID 139168988

IUPACtetrakis(4-phenyl-2,6-dipyridin-2-ylpyridine);tetrakis(propan-2-one);tetrakis(1-(6-pyridin-2-yl-2-pyridinyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine);tetrakis(ruthenium(2+));octahexafluorophosphate
SMILESCC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].[Ru+2].[Ru+2].[Ru+2].c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.c1ccc(-c2cccc(N3CCCN4CCCN=C43)n2)nc1.c1ccc(-c2cccc(N3CCCN4CCCN=C43)n2)nc1.c1ccc(-c2cccc(N3CCCN4CCCN=C43)n2)nc1.c1ccc(-c2cccc(N3CCCN4CCCN=C43)n2)nc1
InChIInChI=1S/4C21H15N3.4C17H19N5.4C3H6O.8F6P.4Ru/c4*1-2-8-16(9-3-1)17-14-20(18-10-4-6-12-22-18)24-21(15-17)19-11-5-7-13-23-19;4*1-2-9-18-14(6-1)15-7-3-8-16(20-15)22-13-5-12-21-11-4-10-19-17(21)22;4*1-3(2)4;8*1-7(2,3,4,5)6;;;;/h4*1-15H;4*1-3,6-9H,4-5,10-13H2;4*1-2H3;;;;;;;;;;;;/q;;;;;;;;;;;;8*-1;4*+2
InChIKeyMBRZRHCIQIKJDM-UHFFFAOYSA-N
MW4207.28 g/mol
LogP58.58
Rot. Bonds20

About tetrakis(4-phenyl-2,6-dipyridin-2-ylpyridine);tetrakis(propan-2-one);tetrakis(1-(6-pyridin-2-yl-2-pyridinyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine);tetrakis(ruthenium(2+));octahexafluorophosphate

tetrakis(4-phenyl-2,6-dipyridin-2-ylpyridine);tetrakis(propan-2-one);tetrakis(1-(6-pyridin-2-yl-2-pyridinyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine);tetrakis(ruthenium(2+));octahexafluorophosphate (PubChem CID 139168988) has the molecular formula C164H160F48N32O4P8Ru4 and a molecular weight of 4207.28 g/mol. Its IUPAC name is tetrakis(4-phenyl-2,6-dipyridin-2-ylpyridine);tetrakis(propan-2-one);tetrakis(1-(6-pyridin-2-yl-2-pyridinyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine);tetrakis(ruthenium(2+));octahexafluorophosphate.

Molecular Properties

Compound Nametetrakis(4-phenyl-2,6-dipyridin-2-ylpyridine);tetrakis(propan-2-one);tetrakis(1-(6-pyridin-2-yl-2-pyridinyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine);tetrakis(ruthenium(2+));octahexafluorophosphate
PubChem CID139168988
Molecular FormulaC164H160F48N32O4P8Ru4
Molecular Weight4207.28 g/mol
Exact Mass4208.66
IUPAC Nametetrakis(4-phenyl-2,6-dipyridin-2-ylpyridine);tetrakis(propan-2-one);tetrakis(1-(6-pyridin-2-yl-2-pyridinyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine);tetrakis(ruthenium(2+));octahexafluorophosphate
SMILESCC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].[Ru+2].[Ru+2].[Ru+2].c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.c1ccc(-c2cccc(N3CCCN4CCCN=C43)n2)nc1.c1ccc(-c2cccc(N3CCCN4CCCN=C43)n2)nc1.c1ccc(-c2cccc(N3CCCN4CCCN=C43)n2)nc1.c1ccc(-c2cccc(N3CCCN4CCCN=C43)n2)nc1
InChIInChI=1S/4C21H15N3.4C17H19N5.4C3H6O.8F6P.4Ru/c4*1-2-8-16(9-3-1)17-14-20(18-10-4-6-12-22-18)24-21(15-17)19-11-5-7-13-23-19;4*1-2-9-18-14(6-1)15-7-3-8-16(20-15)22-13-5-12-21-11-4-10-19-17(21)22;4*1-3(2)4;8*1-7(2,3,4,5)6;;;;/h4*1-15H;4*1-3,6-9H,4-5,10-13H2;4*1-2H3;;;;;;;;;;;;/q;;;;;;;;;;;;8*-1;4*+2
InChIKeyMBRZRHCIQIKJDM-UHFFFAOYSA-N
XLogP58.58
TPSA401.44 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds20
Heavy Atoms260
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004207.28
LogP ≤ 558.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze tetrakis(4-phenyl-2,6-dipyridin-2-ylpyridine);tetrakis(propan-2-one);tetrakis(1-(6-pyridin-2-yl-2-pyridinyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine);tetrakis(ruthenium(2+));octahexafluorophosphate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tetrakis(4-phenyl-2,6-dipyridin-2-ylpyridine);tetrakis(propan-2-one);tetrakis(1-(6-pyridin-2-yl-2-pyridinyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine);tetrakis(ruthenium(2+));octahexafluorophosphate?
The IUPAC name of tetrakis(4-phenyl-2,6-dipyridin-2-ylpyridine);tetrakis(propan-2-one);tetrakis(1-(6-pyridin-2-yl-2-pyridinyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine);tetrakis(ruthenium(2+));octahexafluorophosphate (CID 139168988) is tetrakis(4-phenyl-2,6-dipyridin-2-ylpyridine);tetrakis(propan-2-one);tetrakis(1-(6-pyridin-2-yl-2-pyridinyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine);tetrakis(ruthenium(2+));octahexafluorophosphate.
What is the SMILES notation for tetrakis(4-phenyl-2,6-dipyridin-2-ylpyridine);tetrakis(propan-2-one);tetrakis(1-(6-pyridin-2-yl-2-pyridinyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine);tetrakis(ruthenium(2+));octahexafluorophosphate?
The canonical SMILES for tetrakis(4-phenyl-2,6-dipyridin-2-ylpyridine);tetrakis(propan-2-one);tetrakis(1-(6-pyridin-2-yl-2-pyridinyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine);tetrakis(ruthenium(2+));octahexafluorophosphate is CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].[Ru+2].[Ru+2].[Ru+2].c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.c1ccc(-c2cccc(N3CCCN4CCCN=C43)n2)nc1.c1ccc(-c2cccc(N3CCCN4CCCN=C43)n2)nc1.c1ccc(-c2cccc(N3CCCN4CCCN=C43)n2)nc1.c1ccc(-c2cccc(N3CCCN4CCCN=C43)n2)nc1.
What is the InChIKey of tetrakis(4-phenyl-2,6-dipyridin-2-ylpyridine);tetrakis(propan-2-one);tetrakis(1-(6-pyridin-2-yl-2-pyridinyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine);tetrakis(ruthenium(2+));octahexafluorophosphate?
The InChIKey is MBRZRHCIQIKJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/4C21H15N3.4C17H19N5.4C3H6O.8F6P.4Ru/c4*1-2-8-16(9-3-1)17-14-20(18-10-4-6-12-22-18)24-21(15-17)19-11-5-7-13-23-19;4*1-2-9-18-14(6-1)15-7-3-8-16(20-15)22-13-5-12-21-11-4-10-19-17(21)22;4*1-3(2)4;8*1-7(2,3,4,5)6;;;;/h4*1-15H;4*1-3,6-9H,4-5,10-13H2;4*1-2H3;;;;;;;;;;;;/q;;;;;;;;;;;;8*-1;4*+2.
What are the key properties of tetrakis(4-phenyl-2,6-dipyridin-2-ylpyridine);tetrakis(propan-2-one);tetrakis(1-(6-pyridin-2-yl-2-pyridinyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine);tetrakis(ruthenium(2+));octahexafluorophosphate?
tetrakis(4-phenyl-2,6-dipyridin-2-ylpyridine);tetrakis(propan-2-one);tetrakis(1-(6-pyridin-2-yl-2-pyridinyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine);tetrakis(ruthenium(2+));octahexafluorophosphate has a molecular weight of 4207.28 g/mol, XLogP of 58.58, 20 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(4-phenyl-2,6-dipyridin-2-ylpyridine);tetrakis(propan-2-one);tetrakis(1-(6-pyridin-2-yl-2-pyridinyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine);tetrakis(ruthenium(2+));octahexafluorophosphate is sourced from PubChem (CID 139168988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).