beryllium;bis(benzo[h]quinolin-1-ium-10-olate);methane

C27H22BeN2O2+2 — CID 157210545

IUPACberyllium;bis(benzo[h]quinolin-1-ium-10-olate);methane
SMILESC.[Be+2].[O-]c1cccc2ccc3ccc[nH+]c3c12.[O-]c1cccc2ccc3ccc[nH+]c3c12
InChIInChI=1S/2C13H9NO.CH4.Be/c2*15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11;;/h2*1-8,15H;1H4;/q;;;+2
InChIKeyARVNYYZUBYYTRT-UHFFFAOYSA-N
MW415.50 g/mol
LogP4.02
Rot. Bonds

About beryllium;bis(benzo[h]quinolin-1-ium-10-olate);methane

beryllium;bis(benzo[h]quinolin-1-ium-10-olate);methane (PubChem CID 157210545) has the molecular formula C27H22BeN2O2+2 and a molecular weight of 415.50 g/mol. Its IUPAC name is beryllium;bis(benzo[h]quinolin-1-ium-10-olate);methane.

Molecular Properties

Compound Nameberyllium;bis(benzo[h]quinolin-1-ium-10-olate);methane
PubChem CID157210545
Molecular FormulaC27H22BeN2O2+2
Molecular Weight415.50 g/mol
Exact Mass415.18
IUPAC Nameberyllium;bis(benzo[h]quinolin-1-ium-10-olate);methane
SMILESC.[Be+2].[O-]c1cccc2ccc3ccc[nH+]c3c12.[O-]c1cccc2ccc3ccc[nH+]c3c12
InChIInChI=1S/2C13H9NO.CH4.Be/c2*15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11;;/h2*1-8,15H;1H4;/q;;;+2
InChIKeyARVNYYZUBYYTRT-UHFFFAOYSA-N
XLogP4.02
TPSA74.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Beryllium, bis(benzo(h)quinolin-10-olato-kappaN1,kappaO10)-, (T-4)-
CID 22596848
Bis(10-hydroxybenzo[H]quinolinato)beryllium
CID 15333273
Benzo[h]quinolin-10-yl trifluoromethanesulfonate;10-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]benzo[h]quinoline;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-6-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 160151521
[2-[2-[3,5-Bis[2-[4-(5-methyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]-5-(4-phenylquinolin-2-yl)phenyl] trifluoromethanesulfonate
CID 165148895
[2-[2-[3,5-Bis[2-[4-(5-methyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]-5-(4-phenylquinolin-2-yl)phenyl] trifluoromethanesulfonate
CID 166806134
20-Methoxy-16-(4-methoxyphenyl)-10,15-diphenyl-9-pyridin-4-yl-5-azahexacyclo[12.8.0.02,11.03,8.04,21.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene
CID 132523504
2,2-Diphenyl-3-oxa-1-azonia-2-boranuidatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaene
CID 139037611
3H-2,1-Benzoxaborole-1-spiro-4'-(5-oxa-3a-aza-4-borapyrene)
CID 139073984
1-[2-(4-Methylphenyl)naphthalen-1-yl]-3-(1,10-phenanthrolin-2-yl)naphthalen-2-ol
CID 139185543
2,2'-Dihydroxyl-1,1'-binaphthyl diquinoline
CID 139190542
2,2-Dihydroxyl-1,1'-binaphthyl di-8-methylquinoline
CID 139190544
10-Acridin-9-ylanthracen-9-ol;pyridine
CID 168327449

Frequently Asked Questions

What is the IUPAC name of beryllium;bis(benzo[h]quinolin-1-ium-10-olate);methane?
The IUPAC name of beryllium;bis(benzo[h]quinolin-1-ium-10-olate);methane (CID 157210545) is beryllium;bis(benzo[h]quinolin-1-ium-10-olate);methane.
What is the SMILES notation for beryllium;bis(benzo[h]quinolin-1-ium-10-olate);methane?
The canonical SMILES for beryllium;bis(benzo[h]quinolin-1-ium-10-olate);methane is C.[Be+2].[O-]c1cccc2ccc3ccc[nH+]c3c12.[O-]c1cccc2ccc3ccc[nH+]c3c12.
What is the InChIKey of beryllium;bis(benzo[h]quinolin-1-ium-10-olate);methane?
The InChIKey is ARVNYYZUBYYTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H9NO.CH4.Be/c2*15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11;;/h2*1-8,15H;1H4;/q;;;+2.
What are the key properties of beryllium;bis(benzo[h]quinolin-1-ium-10-olate);methane?
beryllium;bis(benzo[h]quinolin-1-ium-10-olate);methane has a molecular weight of 415.50 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for beryllium;bis(benzo[h]quinolin-1-ium-10-olate);methane is sourced from PubChem (CID 157210545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).