octakis(acetonitrile);tetrakis(copper(1+));2-[2-[4-(1,3-dipyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-2-yl)phenyl]-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl]pyridine;tetrahexafluorophosphate

C58H60Cu4F24N12P6 — CID 139135646

IUPACoctakis(acetonitrile);tetrakis(copper(1+));2-[2-[4-(1,3-dipyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-2-yl)phenyl]-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl]pyridine;tetrahexafluorophosphate
SMILESCC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.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.[Cu+].[Cu+].[Cu+].[Cu+].c1ccc(-c2c3c(c(-c4ccccn4)p2-c2ccc(-p4c(-c5ccccn5)c5c(c4-c4ccccn4)CCCC5)cc2)CCCC3)nc1
InChIInChI=1S/C42H36N4P2.8C2H3N.4Cu.4F6P/c1-2-14-32-31(13-1)39(35-17-5-9-25-43-35)47(40(32)36-18-6-10-26-44-36)29-21-23-30(24-22-29)48-41(37-19-7-11-27-45-37)33-15-3-4-16-34(33)42(48)38-20-8-12-28-46-38;8*1-2-3;;;;;4*1-7(2,3,4,5)6/h5-12,17-28H,1-4,13-16H2;8*1H3;;;;;;;;/q;;;;;;;;;4*+1;4*-1
InChIKeyHEVCYUCGDZSBIP-UHFFFAOYSA-N
MW1821.18 g/mol
LogP29.40
Rot. Bonds6

About octakis(acetonitrile);tetrakis(copper(1+));2-[2-[4-(1,3-dipyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-2-yl)phenyl]-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl]pyridine;tetrahexafluorophosphate

octakis(acetonitrile);tetrakis(copper(1+));2-[2-[4-(1,3-dipyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-2-yl)phenyl]-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl]pyridine;tetrahexafluorophosphate (PubChem CID 139135646) has the molecular formula C58H60Cu4F24N12P6 and a molecular weight of 1821.18 g/mol. Its IUPAC name is octakis(acetonitrile);tetrakis(copper(1+));2-[2-[4-(1,3-dipyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-2-yl)phenyl]-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl]pyridine;tetrahexafluorophosphate.

Molecular Properties

Compound Nameoctakis(acetonitrile);tetrakis(copper(1+));2-[2-[4-(1,3-dipyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-2-yl)phenyl]-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl]pyridine;tetrahexafluorophosphate
PubChem CID139135646
Molecular FormulaC58H60Cu4F24N12P6
Molecular Weight1821.18 g/mol
Exact Mass1818.03
IUPAC Nameoctakis(acetonitrile);tetrakis(copper(1+));2-[2-[4-(1,3-dipyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-2-yl)phenyl]-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl]pyridine;tetrahexafluorophosphate
SMILESCC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.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.[Cu+].[Cu+].[Cu+].[Cu+].c1ccc(-c2c3c(c(-c4ccccn4)p2-c2ccc(-p4c(-c5ccccn5)c5c(c4-c4ccccn4)CCCC5)cc2)CCCC3)nc1
InChIInChI=1S/C42H36N4P2.8C2H3N.4Cu.4F6P/c1-2-14-32-31(13-1)39(35-17-5-9-25-43-35)47(40(32)36-18-6-10-26-44-36)29-21-23-30(24-22-29)48-41(37-19-7-11-27-45-37)33-15-3-4-16-34(33)42(48)38-20-8-12-28-46-38;8*1-2-3;;;;;4*1-7(2,3,4,5)6/h5-12,17-28H,1-4,13-16H2;8*1H3;;;;;;;;/q;;;;;;;;;4*+1;4*-1
InChIKeyHEVCYUCGDZSBIP-UHFFFAOYSA-N
XLogP29.40
TPSA241.88 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001821.18
LogP ≤ 529.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze octakis(acetonitrile);tetrakis(copper(1+));2-[2-[4-(1,3-dipyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-2-yl)phenyl]-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl]pyridine;tetrahexafluorophosphate with MolForge

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Related Compounds

bis(acetonitrile);bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
CID 11320289
bis(acetonitrile);pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
CID 139133343
N,N-dibutyl-4-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)aniline
CID 102470609
1,4-dipyridin-2-yl-5,6,7,8-tetrahydrophthalazine
CID 15911741
bis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(2-phenyl-4,6-dipyridin-2-yl-1,3,5-triazine);bis(ruthenium(2+));tetrahexafluorophosphate
CID 139184896
acetonitrile;2-(4,5-dihydro-1,3-oxazol-2-yl)-4,5-dihydro-1,3-oxazole;oxolane;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
CID 139253406
bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium(4+);tetrahexafluorophosphate
CID 156597290
2,3-dipyridin-2-ylpyrazine;bis(2-pyridin-2-ylpyridine);ruthenium(3+);trihexafluorophosphate
CID 139261288
zinc;acetonitrile;N-[(6-pyridin-2-yl-2-pyridinyl)methyl]-2-[2-[(6-pyridin-2-yl-2-pyridinyl)methylamino]phenyl]aniline;dihexafluorophosphate
CID 139159406
acetonitrile;2,6-dipyridin-2-ylpyridine;osmium;2-phenyl-4,5-dihydro-1,3-oxazole;hexafluorophosphate
CID 71715009
tris(acetonitrile);ethyl 2-phenyl-6-pyridin-2-ylpyridine-4-carboxylate;osmium;hexafluorophosphate
CID 71714755
5,8,13,16-tetrapyridin-2-yl-6,7,14,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene
CID 101424910

Frequently Asked Questions

What is the IUPAC name of octakis(acetonitrile);tetrakis(copper(1+));2-[2-[4-(1,3-dipyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-2-yl)phenyl]-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl]pyridine;tetrahexafluorophosphate?
The IUPAC name of octakis(acetonitrile);tetrakis(copper(1+));2-[2-[4-(1,3-dipyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-2-yl)phenyl]-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl]pyridine;tetrahexafluorophosphate (CID 139135646) is octakis(acetonitrile);tetrakis(copper(1+));2-[2-[4-(1,3-dipyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-2-yl)phenyl]-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl]pyridine;tetrahexafluorophosphate.
What is the SMILES notation for octakis(acetonitrile);tetrakis(copper(1+));2-[2-[4-(1,3-dipyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-2-yl)phenyl]-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl]pyridine;tetrahexafluorophosphate?
The canonical SMILES for octakis(acetonitrile);tetrakis(copper(1+));2-[2-[4-(1,3-dipyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-2-yl)phenyl]-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl]pyridine;tetrahexafluorophosphate is CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.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.[Cu+].[Cu+].[Cu+].[Cu+].c1ccc(-c2c3c(c(-c4ccccn4)p2-c2ccc(-p4c(-c5ccccn5)c5c(c4-c4ccccn4)CCCC5)cc2)CCCC3)nc1.
What is the InChIKey of octakis(acetonitrile);tetrakis(copper(1+));2-[2-[4-(1,3-dipyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-2-yl)phenyl]-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl]pyridine;tetrahexafluorophosphate?
The InChIKey is HEVCYUCGDZSBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H36N4P2.8C2H3N.4Cu.4F6P/c1-2-14-32-31(13-1)39(35-17-5-9-25-43-35)47(40(32)36-18-6-10-26-44-36)29-21-23-30(24-22-29)48-41(37-19-7-11-27-45-37)33-15-3-4-16-34(33)42(48)38-20-8-12-28-46-38;8*1-2-3;;;;;4*1-7(2,3,4,5)6/h5-12,17-28H,1-4,13-16H2;8*1H3;;;;;;;;/q;;;;;;;;;4*+1;4*-1.
What are the key properties of octakis(acetonitrile);tetrakis(copper(1+));2-[2-[4-(1,3-dipyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-2-yl)phenyl]-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl]pyridine;tetrahexafluorophosphate?
octakis(acetonitrile);tetrakis(copper(1+));2-[2-[4-(1,3-dipyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-2-yl)phenyl]-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl]pyridine;tetrahexafluorophosphate has a molecular weight of 1821.18 g/mol, XLogP of 29.40, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for octakis(acetonitrile);tetrakis(copper(1+));2-[2-[4-(1,3-dipyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-2-yl)phenyl]-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl]pyridine;tetrahexafluorophosphate is sourced from PubChem (CID 139135646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).