CID 169301164

C15H14BNY- — CID 169301164

IUPAC—
SMILES[B].[H]/[C-]=C/c1[c-]c(-c2ccccc2C)[n+](C)cc1.[Y]
InChIInChI=1S/C15H14N.B.Y/c1-4-13-9-10-16(3)15(11-13)14-8-6-5-7-12(14)2;;/h1,4-10H,2-3H3;;/q-1;;
InChIKeySJAIYQKLNKOOAT-UHFFFAOYSA-N
MW308.00 g/mol
LogP2.35
Rot. Bonds2

About CID 169301164

CID 169301164 (PubChem CID 169301164) has the molecular formula C15H14BNY- and a molecular weight of 308.00 g/mol.

Molecular Properties

Compound NameCID 169301164
PubChem CID169301164
Molecular FormulaC15H14BNY-
Molecular Weight308.00 g/mol
Exact Mass308.03
IUPAC Name—
SMILES[B].[H]/[C-]=C/c1[c-]c(-c2ccccc2C)[n+](C)cc1.[Y]
InChIInChI=1S/C15H14N.B.Y/c1-4-13-9-10-16(3)15(11-13)14-8-6-5-7-12(14)2;;/h1,4-10H,2-3H3;;/q-1;;
InChIKeySJAIYQKLNKOOAT-UHFFFAOYSA-N
XLogP2.35
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.00
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-ethenyl-1-methyl-2-(2-methylphenyl)-3H-pyridin-1-ium-3-ide;yttrium
CID 164937411
1-ethenyl-3-methylbenzene-2-ide;vanadium(2+)
CID 58904404
1-methyl-6-(2-methylphenyl)-4-(1H-naphthalen-1-id-2-yl)-5H-pyrimidin-1-ium-5-ide;yttrium
CID 164937331
1-methyl-2-[2-[4-(2-methylphenyl)phenyl]phenyl]benzene
CID 58892394
ethene;1-methyl-2-(2-methylphenyl)benzene
CID 145078997
1-methyl-8-(2-methylphenyl)quinolin-1-ium
CID 176621990
dimethylsilane;1-methyl-2-(2-methylphenyl)benzene
CID 162166796
N-[1-methyl-6-(2-methylphenyl)-4H-pyrimidin-1-ium-4-id-5-yl]methanimine;yttrium
CID 164937480
3-ethenyl-7-methyl-1-(2-methylphenyl)-2H-pyrrolo[2,3-b]pyridin-1-ium-2-ide;yttrium
CID 159185329
1-methyl-2-[4-(2-phenylphenyl)phenyl]benzene
CID 58390061
1,3-dimethyl-2-(2-methylphenyl)imidazol-1-ium;ethane;tris(yttrium)
CID 158292360
4-tert-butyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 59773314

Frequently Asked Questions

What is the IUPAC name of CID 169301164?
The IUPAC name of CID 169301164 (CID 169301164) is not available.
What is the SMILES notation for CID 169301164?
The canonical SMILES for CID 169301164 is [B].[H]/[C-]=C/c1[c-]c(-c2ccccc2C)[n+](C)cc1.[Y].
What is the InChIKey of CID 169301164?
The InChIKey is SJAIYQKLNKOOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N.B.Y/c1-4-13-9-10-16(3)15(11-13)14-8-6-5-7-12(14)2;;/h1,4-10H,2-3H3;;/q-1;;.
What are the key properties of CID 169301164?
CID 169301164 has a molecular weight of 308.00 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 169301164 is sourced from PubChem (CID 169301164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).