tetrakis(dipyridin-2-ylazanide);tetraphenylboranuide;tungsten;tungsten(2+)

C64H52BN12W2-3 — CID 139127430

IUPACtetrakis(dipyridin-2-ylazanide);tetraphenylboranuide;tungsten;tungsten(2+)
SMILES[W+2].[W].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.4C10H8N3.2W/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
InChIKeyXYIZGNVEXYYZLK-UHFFFAOYSA-N
MW1367.70 g/mol
LogP14.31
Rot. Bonds12

About tetrakis(dipyridin-2-ylazanide);tetraphenylboranuide;tungsten;tungsten(2+)

tetrakis(dipyridin-2-ylazanide);tetraphenylboranuide;tungsten;tungsten(2+) (PubChem CID 139127430) has the molecular formula C64H52BN12W2-3 and a molecular weight of 1367.70 g/mol. Its IUPAC name is tetrakis(dipyridin-2-ylazanide);tetraphenylboranuide;tungsten;tungsten(2+).

Molecular Properties

Compound Nametetrakis(dipyridin-2-ylazanide);tetraphenylboranuide;tungsten;tungsten(2+)
PubChem CID139127430
Molecular FormulaC64H52BN12W2-3
Molecular Weight1367.70 g/mol
Exact Mass1367.36
IUPAC Nametetrakis(dipyridin-2-ylazanide);tetraphenylboranuide;tungsten;tungsten(2+)
SMILES[W+2].[W].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.4C10H8N3.2W/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
InChIKeyXYIZGNVEXYYZLK-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 ≤ 5001367.70
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

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CID 174934257
CID 174934257
(2-fluorophenyl)-pyridin-2-ylazanide
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bis(manganese(3+));bis(oxygen(2-));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);bis(tetraphenylboranuide)
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benzene;tetrakis(dipyridin-2-ylazanide);ethoxyethane;hexakis(nickel(2+));tris(N-[6-[(Z)-1-oxidoethylideneamino]-2-pyridinyl]ethanimidate);N-[6-[(E)-1-oxidoethylideneamino]-2-pyridinyl]ethanimidate
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CID 88770661
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bis(acetonitrile);1,4-bis(pyridin-2-ylmethyl)-1,4-diazepane;nickel(2+);bis(tetraphenylboranuide)
CID 139171280

Frequently Asked Questions

What is the IUPAC name of tetrakis(dipyridin-2-ylazanide);tetraphenylboranuide;tungsten;tungsten(2+)?
The IUPAC name of tetrakis(dipyridin-2-ylazanide);tetraphenylboranuide;tungsten;tungsten(2+) (CID 139127430) is tetrakis(dipyridin-2-ylazanide);tetraphenylboranuide;tungsten;tungsten(2+).
What is the SMILES notation for tetrakis(dipyridin-2-ylazanide);tetraphenylboranuide;tungsten;tungsten(2+)?
The canonical SMILES for tetrakis(dipyridin-2-ylazanide);tetraphenylboranuide;tungsten;tungsten(2+) is [W+2].[W].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);tetraphenylboranuide;tungsten;tungsten(2+)?
The InChIKey is XYIZGNVEXYYZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20B.4C10H8N3.2W/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.
What are the key properties of tetrakis(dipyridin-2-ylazanide);tetraphenylboranuide;tungsten;tungsten(2+)?
tetrakis(dipyridin-2-ylazanide);tetraphenylboranuide;tungsten;tungsten(2+) has a molecular weight of 1367.70 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);tetraphenylboranuide;tungsten;tungsten(2+) is sourced from PubChem (CID 139127430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).