beryllium 2-[(2-oxido-5-phenylphenyl)methyl]-4-phenylphenolate

C25H18BeO2 — CID 23597058

IUPACberyllium 2-[(2-oxido-5-phenylphenyl)methyl]-4-phenylphenolate
SMILES[Be+2].[O-]c1ccc(-c2ccccc2)cc1Cc1cc(-c2ccccc2)ccc1[O-]
InChIInChI=1S/C25H20O2.Be/c26-24-13-11-20(18-7-3-1-4-8-18)15-22(24)17-23-16-21(12-14-25(23)27)19-9-5-2-6-10-19;/h1-16,26-27H,17H2;/q;+2/p-2
InChIKeyDFSMDVABFNMLBC-UHFFFAOYSA-L
MW359.43 g/mol
LogP4.38
Rot. Bonds4

About beryllium 2-[(2-oxido-5-phenylphenyl)methyl]-4-phenylphenolate

beryllium 2-[(2-oxido-5-phenylphenyl)methyl]-4-phenylphenolate (PubChem CID 23597058) has the molecular formula C25H18BeO2 and a molecular weight of 359.43 g/mol. Its IUPAC name is beryllium 2-[(2-oxido-5-phenylphenyl)methyl]-4-phenylphenolate.

Molecular Properties

Compound Nameberyllium 2-[(2-oxido-5-phenylphenyl)methyl]-4-phenylphenolate
PubChem CID23597058
Molecular FormulaC25H18BeO2
Molecular Weight359.43 g/mol
Exact Mass359.14
IUPAC Nameberyllium 2-[(2-oxido-5-phenylphenyl)methyl]-4-phenylphenolate
SMILES[Be+2].[O-]c1ccc(-c2ccccc2)cc1Cc1cc(-c2ccccc2)ccc1[O-]
InChIInChI=1S/C25H20O2.Be/c26-24-13-11-20(18-7-3-1-4-8-18)15-22(24)17-23-16-21(12-14-25(23)27)19-9-5-2-6-10-19;/h1-16,26-27H,17H2;/q;+2/p-2
InChIKeyDFSMDVABFNMLBC-UHFFFAOYSA-L
XLogP4.38
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-phenylphenolate
CID 155760391
2-[(2-hydroxyphenyl)methyl]-4-phenylphenol
CID 4295643
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
1-[3-(4-phenylphenyl)phenyl]-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124478
1,2-dichloroethane;1,4-diphenylbenzene
CID 174576673
1-(3-phenylphenyl)-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-(3-phenylphenyl)-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124504
1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene
CID 166563615
2-ethyl-4-phenylbenzaldehyde
CID 87968483
1,4-bis(3-benzylphenyl)benzene
CID 175442136
2-(bromomethyl)-4-phenylbenzaldehyde
CID 89003019

Frequently Asked Questions

What is the IUPAC name of beryllium 2-[(2-oxido-5-phenylphenyl)methyl]-4-phenylphenolate?
The IUPAC name of beryllium 2-[(2-oxido-5-phenylphenyl)methyl]-4-phenylphenolate (CID 23597058) is beryllium 2-[(2-oxido-5-phenylphenyl)methyl]-4-phenylphenolate.
What is the SMILES notation for beryllium 2-[(2-oxido-5-phenylphenyl)methyl]-4-phenylphenolate?
The canonical SMILES for beryllium 2-[(2-oxido-5-phenylphenyl)methyl]-4-phenylphenolate is [Be+2].[O-]c1ccc(-c2ccccc2)cc1Cc1cc(-c2ccccc2)ccc1[O-].
What is the InChIKey of beryllium 2-[(2-oxido-5-phenylphenyl)methyl]-4-phenylphenolate?
The InChIKey is DFSMDVABFNMLBC-UHFFFAOYSA-L. The full InChI is InChI=1S/C25H20O2.Be/c26-24-13-11-20(18-7-3-1-4-8-18)15-22(24)17-23-16-21(12-14-25(23)27)19-9-5-2-6-10-19;/h1-16,26-27H,17H2;/q;+2/p-2.
What are the key properties of beryllium 2-[(2-oxido-5-phenylphenyl)methyl]-4-phenylphenolate?
beryllium 2-[(2-oxido-5-phenylphenyl)methyl]-4-phenylphenolate has a molecular weight of 359.43 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for beryllium 2-[(2-oxido-5-phenylphenyl)methyl]-4-phenylphenolate is sourced from PubChem (CID 23597058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).