beryllium;benzo[h]quinolin-1-ium-10-olate;7-(4-prop-1-enylphenyl)benzo[h]quinolin-1-ium-10-olate

C35H26BeN2O2+2 — CID 59896287

IUPACberyllium;benzo[h]quinolin-1-ium-10-olate;7-(4-prop-1-enylphenyl)benzo[h]quinolin-1-ium-10-olate
SMILESCC=Cc1ccc(-c2ccc([O-])c3c2ccc2ccc[nH+]c23)cc1.[Be+2].[O-]c1cccc2ccc3ccc[nH+]c3c12
InChIInChI=1S/C22H17NO.C13H9NO.Be/c1-2-4-15-6-8-16(9-7-15)18-12-13-20(24)21-19(18)11-10-17-5-3-14-23-22(17)21;15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11;/h2-14,24H,1H3;1-8,15H;/q;;+2
InChIKeyXRXRUMNLHZYLNG-UHFFFAOYSA-N
MW515.62 g/mol
LogP6.08
Rot. Bonds2

About beryllium;benzo[h]quinolin-1-ium-10-olate;7-(4-prop-1-enylphenyl)benzo[h]quinolin-1-ium-10-olate

beryllium;benzo[h]quinolin-1-ium-10-olate;7-(4-prop-1-enylphenyl)benzo[h]quinolin-1-ium-10-olate (PubChem CID 59896287) has the molecular formula C35H26BeN2O2+2 and a molecular weight of 515.62 g/mol. Its IUPAC name is beryllium;benzo[h]quinolin-1-ium-10-olate;7-(4-prop-1-enylphenyl)benzo[h]quinolin-1-ium-10-olate.

Molecular Properties

Compound Nameberyllium;benzo[h]quinolin-1-ium-10-olate;7-(4-prop-1-enylphenyl)benzo[h]quinolin-1-ium-10-olate
PubChem CID59896287
Molecular FormulaC35H26BeN2O2+2
Molecular Weight515.62 g/mol
Exact Mass515.21
IUPAC Nameberyllium;benzo[h]quinolin-1-ium-10-olate;7-(4-prop-1-enylphenyl)benzo[h]quinolin-1-ium-10-olate
SMILESCC=Cc1ccc(-c2ccc([O-])c3c2ccc2ccc[nH+]c23)cc1.[Be+2].[O-]c1cccc2ccc3ccc[nH+]c3c12
InChIInChI=1S/C22H17NO.C13H9NO.Be/c1-2-4-15-6-8-16(9-7-15)18-12-13-20(24)21-19(18)11-10-17-5-3-14-23-22(17)21;15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11;/h2-14,24H,1H3;1-8,15H;/q;;+2
InChIKeyXRXRUMNLHZYLNG-UHFFFAOYSA-N
XLogP6.08
TPSA74.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.62
LogP ≤ 56.08
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;7-(4-prop-1-enylphenyl)benzo[h]quinolin-1-ium-10-olate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Beryllium, bis(benzo(h)quinolin-10-olato-kappaN1,kappaO10)-, (T-4)-
CID 22596848
Bis(10-hydroxybenzo[H]quinolinato)beryllium
CID 15333273
(1S)-3-(1,10-Phenanthrolin-2-yl)-2'-phenyl-[1,1'-binaphthalen]-2-ol
CID 136672961
{3-[3-Benzyl-8-(Trifluoromethyl)Quinolin-4-yl]Phenyl}[(2-Methoxy-1-Naphthyl) Methyl]Amine
CID 66914444
{3-[3-Benzyl-8-(Trifluoromethyl)Quinolin-4-yl]Phenyl}[(6-Methoxy-2-Naphthyl) Methyl]Amine
CID 66914583
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
[1-(1,10-Phenanthrolin-2-yl)-6-phenylbenzo[k]phenanthridin-7-yl] trifluoromethanesulfonate
CID 171054802
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
1-(2-Hydroxynaphthalen-1-yl)naphthalen-2-ol;1,10-phenanthroline
CID 139056035

Frequently Asked Questions

What is the IUPAC name of beryllium;benzo[h]quinolin-1-ium-10-olate;7-(4-prop-1-enylphenyl)benzo[h]quinolin-1-ium-10-olate?
The IUPAC name of beryllium;benzo[h]quinolin-1-ium-10-olate;7-(4-prop-1-enylphenyl)benzo[h]quinolin-1-ium-10-olate (CID 59896287) is beryllium;benzo[h]quinolin-1-ium-10-olate;7-(4-prop-1-enylphenyl)benzo[h]quinolin-1-ium-10-olate.
What is the SMILES notation for beryllium;benzo[h]quinolin-1-ium-10-olate;7-(4-prop-1-enylphenyl)benzo[h]quinolin-1-ium-10-olate?
The canonical SMILES for beryllium;benzo[h]quinolin-1-ium-10-olate;7-(4-prop-1-enylphenyl)benzo[h]quinolin-1-ium-10-olate is CC=Cc1ccc(-c2ccc([O-])c3c2ccc2ccc[nH+]c23)cc1.[Be+2].[O-]c1cccc2ccc3ccc[nH+]c3c12.
What is the InChIKey of beryllium;benzo[h]quinolin-1-ium-10-olate;7-(4-prop-1-enylphenyl)benzo[h]quinolin-1-ium-10-olate?
The InChIKey is XRXRUMNLHZYLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO.C13H9NO.Be/c1-2-4-15-6-8-16(9-7-15)18-12-13-20(24)21-19(18)11-10-17-5-3-14-23-22(17)21;15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11;/h2-14,24H,1H3;1-8,15H;/q;;+2.
What are the key properties of beryllium;benzo[h]quinolin-1-ium-10-olate;7-(4-prop-1-enylphenyl)benzo[h]quinolin-1-ium-10-olate?
beryllium;benzo[h]quinolin-1-ium-10-olate;7-(4-prop-1-enylphenyl)benzo[h]quinolin-1-ium-10-olate has a molecular weight of 515.62 g/mol, XLogP of 6.08, 2 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;7-(4-prop-1-enylphenyl)benzo[h]quinolin-1-ium-10-olate is sourced from PubChem (CID 59896287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).