magnesium;1,3-diphenylbenzene-5-ide;chloride

C18H13ClMg — CID 90343387

IUPACmagnesium;1,3-diphenylbenzene-5-ide;chloride
SMILES[Cl-].[Mg+2].[c-]1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C18H13.ClH.Mg/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;;/h1-6,8-14H;1H;/q-1;;+2/p-1
InChIKeyOCBMOPFXAQESQY-UHFFFAOYSA-M
MW289.06 g/mol
LogP1.44
Rot. Bonds2

About magnesium;1,3-diphenylbenzene-5-ide;chloride

magnesium;1,3-diphenylbenzene-5-ide;chloride (PubChem CID 90343387) has the molecular formula C18H13ClMg and a molecular weight of 289.06 g/mol. Its IUPAC name is magnesium;1,3-diphenylbenzene-5-ide;chloride.

Molecular Properties

Compound Namemagnesium;1,3-diphenylbenzene-5-ide;chloride
PubChem CID90343387
Molecular FormulaC18H13ClMg
Molecular Weight289.06 g/mol
Exact Mass288.06
IUPAC Namemagnesium;1,3-diphenylbenzene-5-ide;chloride
SMILES[Cl-].[Mg+2].[c-]1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C18H13.ClH.Mg/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;;/h1-6,8-14H;1H;/q-1;;+2/p-1
InChIKeyOCBMOPFXAQESQY-UHFFFAOYSA-M
XLogP1.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.06
LogP ≤ 51.44
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

phenylbenzene
CID 15377226
4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene
CID 177480216
1,3,5-triphenylbenzene
CID 158331433
dilithium;phenylbenzene
CID 6101598
1,3,5-triphenylbenzene;trihydrochloride
CID 172862781
benzene;tris(1,1'-biphenyl)
CID 162155747
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
ethane;1,3,5-triphenylbenzene
CID 142123051
1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
CID 177124488
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
CID 162140615
CID 162140615
benzene;bis(1,1'-biphenyl);methane
CID 158742993

Frequently Asked Questions

What is the IUPAC name of magnesium;1,3-diphenylbenzene-5-ide;chloride?
The IUPAC name of magnesium;1,3-diphenylbenzene-5-ide;chloride (CID 90343387) is magnesium;1,3-diphenylbenzene-5-ide;chloride.
What is the SMILES notation for magnesium;1,3-diphenylbenzene-5-ide;chloride?
The canonical SMILES for magnesium;1,3-diphenylbenzene-5-ide;chloride is [Cl-].[Mg+2].[c-]1cc(-c2ccccc2)cc(-c2ccccc2)c1.
What is the InChIKey of magnesium;1,3-diphenylbenzene-5-ide;chloride?
The InChIKey is OCBMOPFXAQESQY-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H13.ClH.Mg/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;;/h1-6,8-14H;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1,3-diphenylbenzene-5-ide;chloride?
magnesium;1,3-diphenylbenzene-5-ide;chloride has a molecular weight of 289.06 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1,3-diphenylbenzene-5-ide;chloride is sourced from PubChem (CID 90343387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).