beryllium;benzo[h]quinolin-1-ium-10-olate;8H-cyclohepta[h]quinolin-1-ium-11-olate

C27H20BeN2O2+2 — CID 143983785

IUPACberyllium;benzo[h]quinolin-1-ium-10-olate;8H-cyclohepta[h]quinolin-1-ium-11-olate
SMILES[Be+2].[O-]C1=c2c(ccc3ccc[nH+]c23)=CCC=C1.[O-]c1cccc2ccc3ccc[nH+]c3c12
InChIInChI=1S/C14H11NO.C13H9NO.Be/c16-12-6-2-1-4-10-7-8-11-5-3-9-15-14(11)13(10)12;15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11;/h2-9,16H,1H2;1-8,15H;/q;;+2
InChIKeyADQGWECOTWLQTP-UHFFFAOYSA-N
MW413.48 g/mol
LogP1.36
Rot. Bonds

About beryllium;benzo[h]quinolin-1-ium-10-olate;8H-cyclohepta[h]quinolin-1-ium-11-olate

beryllium;benzo[h]quinolin-1-ium-10-olate;8H-cyclohepta[h]quinolin-1-ium-11-olate (PubChem CID 143983785) has the molecular formula C27H20BeN2O2+2 and a molecular weight of 413.48 g/mol. Its IUPAC name is beryllium;benzo[h]quinolin-1-ium-10-olate;8H-cyclohepta[h]quinolin-1-ium-11-olate.

Molecular Properties

Compound Nameberyllium;benzo[h]quinolin-1-ium-10-olate;8H-cyclohepta[h]quinolin-1-ium-11-olate
PubChem CID143983785
Molecular FormulaC27H20BeN2O2+2
Molecular Weight413.48 g/mol
Exact Mass413.16
IUPAC Nameberyllium;benzo[h]quinolin-1-ium-10-olate;8H-cyclohepta[h]quinolin-1-ium-11-olate
SMILES[Be+2].[O-]C1=c2c(ccc3ccc[nH+]c23)=CCC=C1.[O-]c1cccc2ccc3ccc[nH+]c3c12
InChIInChI=1S/C14H11NO.C13H9NO.Be/c16-12-6-2-1-4-10-7-8-11-5-3-9-15-14(11)13(10)12;15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11;/h2-9,16H,1H2;1-8,15H;/q;;+2
InChIKeyADQGWECOTWLQTP-UHFFFAOYSA-N
XLogP1.36
TPSA74.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze beryllium;benzo[h]quinolin-1-ium-10-olate;8H-cyclohepta[h]quinolin-1-ium-11-olate with MolForge

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Launch Full Analysis

Related Compounds

beryllium;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-3-ium-2-yl)benzenethiolate
CID 59219775
beryllium 2-(2-oxidophenyl)benzo[h]quinolin-1-ium-10-olate
CID 59762870
lithium quinolin-1-ium-8-ol
CID 166010386
beryllium 5-naphthalen-1-ylquinolin-1-ium-8-olate
CID 20606751
beryllium;benzo[h]quinolin-1-ium-10-olate;2-[5-[(1Z)-buta-1,3-dienyl]-4-ethyl-1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]imidazol-3-ium-2-yl]phenolate
CID 143983992
bis(quinolin-1-ium-8-ol);sulfate
CID 8639
trihydroxy(quinolin-1-ium-8-yl)boranuide
CID 122385119
benzo[h]quinolin-10-olate
CID 101433150
2-carboxyphenolate;1,10-phenanthrolin-10-ium
CID 54696347
lithium 7-(2-phenylphenyl)quinolin-1-ium-8-olate
CID 140801003
octacyclo[12.11.11.116,20.127,31.015,25.026,36.024,38.035,37]octatriaconta-1(25),14,16,18,20(38),21,23,26(36),27,29,31(37),32,34-tridecaene
CID 59445145
phthalate;bis(quinolin-1-ium-8-ol)
CID 163359214

Frequently Asked Questions

What is the IUPAC name of beryllium;benzo[h]quinolin-1-ium-10-olate;8H-cyclohepta[h]quinolin-1-ium-11-olate?
The IUPAC name of beryllium;benzo[h]quinolin-1-ium-10-olate;8H-cyclohepta[h]quinolin-1-ium-11-olate (CID 143983785) is beryllium;benzo[h]quinolin-1-ium-10-olate;8H-cyclohepta[h]quinolin-1-ium-11-olate.
What is the SMILES notation for beryllium;benzo[h]quinolin-1-ium-10-olate;8H-cyclohepta[h]quinolin-1-ium-11-olate?
The canonical SMILES for beryllium;benzo[h]quinolin-1-ium-10-olate;8H-cyclohepta[h]quinolin-1-ium-11-olate is [Be+2].[O-]C1=c2c(ccc3ccc[nH+]c23)=CCC=C1.[O-]c1cccc2ccc3ccc[nH+]c3c12.
What is the InChIKey of beryllium;benzo[h]quinolin-1-ium-10-olate;8H-cyclohepta[h]quinolin-1-ium-11-olate?
The InChIKey is ADQGWECOTWLQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO.C13H9NO.Be/c16-12-6-2-1-4-10-7-8-11-5-3-9-15-14(11)13(10)12;15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11;/h2-9,16H,1H2;1-8,15H;/q;;+2.
What are the key properties of beryllium;benzo[h]quinolin-1-ium-10-olate;8H-cyclohepta[h]quinolin-1-ium-11-olate?
beryllium;benzo[h]quinolin-1-ium-10-olate;8H-cyclohepta[h]quinolin-1-ium-11-olate has a molecular weight of 413.48 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for beryllium;benzo[h]quinolin-1-ium-10-olate;8H-cyclohepta[h]quinolin-1-ium-11-olate is sourced from PubChem (CID 143983785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).