tetrakis(dipyridin-2-ylazanide);molybdenum(2+);molybdenum(3+);tetraphenylboranuide

C64H52BMo2N12 — CID 139127431

IUPACtetrakis(dipyridin-2-ylazanide);molybdenum(2+);molybdenum(3+);tetraphenylboranuide
SMILES[Mo+2].[Mo+3].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1
InChIInChI=1S/C24H20B.4C10H8N3.2Mo/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;4*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;;/h1-20H;4*1-8H;;/q5*-1;+2;+3
InChIKeyVARHGBPVINGTGW-UHFFFAOYSA-N
MW1191.90 g/mol
LogP14.31
Rot. Bonds12

About tetrakis(dipyridin-2-ylazanide);molybdenum(2+);molybdenum(3+);tetraphenylboranuide

tetrakis(dipyridin-2-ylazanide);molybdenum(2+);molybdenum(3+);tetraphenylboranuide (PubChem CID 139127431) has the molecular formula C64H52BMo2N12 and a molecular weight of 1191.90 g/mol. Its IUPAC name is tetrakis(dipyridin-2-ylazanide);molybdenum(2+);molybdenum(3+);tetraphenylboranuide.

Molecular Properties

Compound Nametetrakis(dipyridin-2-ylazanide);molybdenum(2+);molybdenum(3+);tetraphenylboranuide
PubChem CID139127431
Molecular FormulaC64H52BMo2N12
Molecular Weight1191.90 g/mol
Exact Mass1195.26
IUPAC Nametetrakis(dipyridin-2-ylazanide);molybdenum(2+);molybdenum(3+);tetraphenylboranuide
SMILES[Mo+2].[Mo+3].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1
InChIInChI=1S/C24H20B.4C10H8N3.2Mo/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;4*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;;/h1-20H;4*1-8H;;/q5*-1;+2;+3
InChIKeyVARHGBPVINGTGW-UHFFFAOYSA-N
XLogP14.31
TPSA159.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001191.90
LogP ≤ 514.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

MoW(dpa)4(OTf)
CID 168338072
Bis[bis(1-oxo-2-pyridyl)aminato]copper(II) tetrahydrate
CID 139076268
Cr3(dpa)4(NO3)2,Et2O
CID 139119133
Cr3(dpa)4(NCO)2
CID 139119135
Tetrakis(nickel(2+));pentane;tetrakis(phenyl-(6-pyridin-2-ylazanidyl-2-pyridinyl)azanide)
CID 139120466
Tetrakis(2,2'-dipyridylamidinato)dichromium(II)
CID 139120522
3-pyridin-2-yl-2-(3-pyridin-2-yl-1H-1,3,2-benzodiazaborol-2-yl)-1H-1,3,2-benzodiazaborole
CID 139124278
Tetrakis(dipyridin-2-ylazanide);bis(tungsten(2+))
CID 139127429
Tetrakis(dipyridin-2-ylazanide);tetraphenylboranuide;tungsten;tungsten(2+)
CID 139127430
Tricopper;tetrakis(dipyridin-2-ylazanide);ditetrafluoroborate
CID 139131031
tetrakis(anilinopyridyl-N,N')divanadium(II,II), benzene solvate
CID 139131491
Tris(cobalt(2+));cyanoiminomethylideneazanide;bis(dichloromethane);tetrakis(dipyridin-2-ylazanide)
CID 139133549

Frequently Asked Questions

What is the IUPAC name of tetrakis(dipyridin-2-ylazanide);molybdenum(2+);molybdenum(3+);tetraphenylboranuide?
The IUPAC name of tetrakis(dipyridin-2-ylazanide);molybdenum(2+);molybdenum(3+);tetraphenylboranuide (CID 139127431) is tetrakis(dipyridin-2-ylazanide);molybdenum(2+);molybdenum(3+);tetraphenylboranuide.
What is the SMILES notation for tetrakis(dipyridin-2-ylazanide);molybdenum(2+);molybdenum(3+);tetraphenylboranuide?
The canonical SMILES for tetrakis(dipyridin-2-ylazanide);molybdenum(2+);molybdenum(3+);tetraphenylboranuide is [Mo+2].[Mo+3].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.
What is the InChIKey of tetrakis(dipyridin-2-ylazanide);molybdenum(2+);molybdenum(3+);tetraphenylboranuide?
The InChIKey is VARHGBPVINGTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20B.4C10H8N3.2Mo/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;4*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;;/h1-20H;4*1-8H;;/q5*-1;+2;+3.
What are the key properties of tetrakis(dipyridin-2-ylazanide);molybdenum(2+);molybdenum(3+);tetraphenylboranuide?
tetrakis(dipyridin-2-ylazanide);molybdenum(2+);molybdenum(3+);tetraphenylboranuide has a molecular weight of 1191.90 g/mol, XLogP of 14.31, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(dipyridin-2-ylazanide);molybdenum(2+);molybdenum(3+);tetraphenylboranuide is sourced from PubChem (CID 139127431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).