CID 157473155

C37H55N11W42Y6-18 — CID 157473155

IUPAC—
SMILES[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[Y].[Y].[Y].[Y].[Y].[Y].[c-]1ccccn1.[c-]1cccnc1.[c-]1ccncn1.[c-]1cnccn1.[c-]1ncccn1.[c-]1ncncn1
InChIInChI=1S/2C5H4N.3C4H3N2.C3H2N3.12CH3.42W.6Y/c2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;2*1-2-5-4-6-3-1;1-4-2-6-3-5-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1-2,4-5H;1-4H;1-3H;1-2,4H;1-3H;1-2H;12*1H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q18*-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyFVQWAWCKWOAZCT-UHFFFAOYSA-N
MW8908.64 g/mol
LogP7.55
Rot. Bonds

About CID 157473155

CID 157473155 (PubChem CID 157473155) has the molecular formula C37H55N11W42Y6-18 and a molecular weight of 8908.64 g/mol.

Molecular Properties

Compound NameCID 157473155
PubChem CID157473155
Molecular FormulaC37H55N11W42Y6-18
Molecular Weight8908.64 g/mol
Exact Mass8912.85
IUPAC Name—
SMILES[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[Y].[Y].[Y].[Y].[Y].[Y].[c-]1ccccn1.[c-]1cccnc1.[c-]1ccncn1.[c-]1cnccn1.[c-]1ncccn1.[c-]1ncncn1
InChIInChI=1S/2C5H4N.3C4H3N2.C3H2N3.12CH3.42W.6Y/c2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;2*1-2-5-4-6-3-1;1-4-2-6-3-5-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1-2,4-5H;1-4H;1-3H;1-2,4H;1-3H;1-2H;12*1H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q18*-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyFVQWAWCKWOAZCT-UHFFFAOYSA-N
XLogP7.55
TPSA141.79 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5008908.64
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

3H-pyridin-3-ide;yttrium
CID 59968407
copper(1+);3H-pyridin-3-ide
CID 59371761
cobalt;2H-pyridin-2-ide;tungsten
CID 175040679
ethane;3H-pyridin-3-ide;yttrium
CID 142017412
3H-pyridin-3-ide;titanium;trihydrochloride
CID 173180210
europium(2+);bis(2H-pyridin-2-ide)
CID 174639173
2H-pyridin-2-ide;ruthenium(1+)
CID 87102828
bis(2H-pyridin-2-ide);zirconium(2+)
CID 174732316
nickel(2+);bis(2H-pyridin-2-ide);dichloride
CID 87862205
tris(iron(3+));hexakis(2H-pyridin-2-ide);trichloride
CID 21312421
iron(2+);bis(2H-pyridin-2-ide);hydroiodide
CID 88701657
ethane;3H-pyridin-3-ide;4H-pyridin-4-ide;bis(yttrium)
CID 162081028

Frequently Asked Questions

What is the IUPAC name of CID 157473155?
The IUPAC name of CID 157473155 (CID 157473155) is not available.
What is the SMILES notation for CID 157473155?
The canonical SMILES for CID 157473155 is [CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[Y].[Y].[Y].[Y].[Y].[Y].[c-]1ccccn1.[c-]1cccnc1.[c-]1ccncn1.[c-]1cnccn1.[c-]1ncccn1.[c-]1ncncn1.
What is the InChIKey of CID 157473155?
The InChIKey is FVQWAWCKWOAZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H4N.3C4H3N2.C3H2N3.12CH3.42W.6Y/c2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;2*1-2-5-4-6-3-1;1-4-2-6-3-5-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1-2,4-5H;1-4H;1-3H;1-2,4H;1-3H;1-2H;12*1H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q18*-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of CID 157473155?
CID 157473155 has a molecular weight of 8908.64 g/mol, XLogP of 7.55, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157473155 is sourced from PubChem (CID 157473155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).