potassium 1-methanidyl-4-phenylbenzene

C13H11K — CID 177482189

IUPACpotassium 1-methanidyl-4-phenylbenzene
SMILES[CH2-]c1ccc(-c2ccccc2)cc1.[K+]
InChIInChI=1S/C13H11.K/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;/h2-10H,1H2;/q-1;+1
InChIKeyPGJGCCWQVXPQNC-UHFFFAOYSA-N
MW206.33 g/mol
LogP0.54
Rot. Bonds1

About potassium 1-methanidyl-4-phenylbenzene

potassium 1-methanidyl-4-phenylbenzene (PubChem CID 177482189) has the molecular formula C13H11K and a molecular weight of 206.33 g/mol. Its IUPAC name is potassium 1-methanidyl-4-phenylbenzene.

Molecular Properties

Compound Namepotassium 1-methanidyl-4-phenylbenzene
PubChem CID177482189
Molecular FormulaC13H11K
Molecular Weight206.33 g/mol
Exact Mass206.05
IUPAC Namepotassium 1-methanidyl-4-phenylbenzene
SMILES[CH2-]c1ccc(-c2ccccc2)cc1.[K+]
InChIInChI=1S/C13H11.K/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;/h2-10H,1H2;/q-1;+1
InChIKeyPGJGCCWQVXPQNC-UHFFFAOYSA-N
XLogP0.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

lithium;1,1'-biphenyl;methanidylbenzene
CID 159489560
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
potassium;1,1'-biphenyl;carbanide
CID 144916134
benzene;tris(1,1'-biphenyl)
CID 162155747
methanidylbenzene;uranium(2+)
CID 20736562
methanidylbenzene;zinc
CID 57471618
hafnium;methanidylbenzene
CID 57417385
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
1,1'-biphenyl;indigane
CID 174363765
benzene;bis(1,1'-biphenyl);methane
CID 158742993
1,1'-biphenyl;hydroiodide
CID 66586334
1,1'-biphenyl;hydrofluoride
CID 67516975

Frequently Asked Questions

What is the IUPAC name of potassium 1-methanidyl-4-phenylbenzene?
The IUPAC name of potassium 1-methanidyl-4-phenylbenzene (CID 177482189) is potassium 1-methanidyl-4-phenylbenzene.
What is the SMILES notation for potassium 1-methanidyl-4-phenylbenzene?
The canonical SMILES for potassium 1-methanidyl-4-phenylbenzene is [CH2-]c1ccc(-c2ccccc2)cc1.[K+].
What is the InChIKey of potassium 1-methanidyl-4-phenylbenzene?
The InChIKey is PGJGCCWQVXPQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11.K/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;/h2-10H,1H2;/q-1;+1.
What are the key properties of potassium 1-methanidyl-4-phenylbenzene?
potassium 1-methanidyl-4-phenylbenzene has a molecular weight of 206.33 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1-methanidyl-4-phenylbenzene is sourced from PubChem (CID 177482189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).