bis(benzo[h]quinolin-10-yloxy)-(4-phenylphenoxy)alumane

C38H25AlN2O3 — CID 58895508

IUPACbis(benzo[h]quinolin-10-yloxy)-(4-phenylphenoxy)alumane
SMILESc1ccc(-c2ccc(O[Al](Oc3cccc4ccc5cccnc5c34)Oc3cccc4ccc5cccnc5c34)cc2)cc1
InChIInChI=1S/2C13H9NO.C12H10O.Al/c2*15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;/h2*1-8,15H;1-9,13H;/q;;;+3/p-3
InChIKeyOAUAUTWUFAEYGK-UHFFFAOYSA-K
MW584.61 g/mol
LogP9.28
Rot. Bonds7

About bis(benzo[h]quinolin-10-yloxy)-(4-phenylphenoxy)alumane

bis(benzo[h]quinolin-10-yloxy)-(4-phenylphenoxy)alumane (PubChem CID 58895508) has the molecular formula C38H25AlN2O3 and a molecular weight of 584.61 g/mol. Its IUPAC name is bis(benzo[h]quinolin-10-yloxy)-(4-phenylphenoxy)alumane.

Molecular Properties

Compound Namebis(benzo[h]quinolin-10-yloxy)-(4-phenylphenoxy)alumane
PubChem CID58895508
Molecular FormulaC38H25AlN2O3
Molecular Weight584.61 g/mol
Exact Mass584.17
IUPAC Namebis(benzo[h]quinolin-10-yloxy)-(4-phenylphenoxy)alumane
SMILESc1ccc(-c2ccc(O[Al](Oc3cccc4ccc5cccnc5c34)Oc3cccc4ccc5cccnc5c34)cc2)cc1
InChIInChI=1S/2C13H9NO.C12H10O.Al/c2*15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;/h2*1-8,15H;1-9,13H;/q;;;+3/p-3
InChIKeyOAUAUTWUFAEYGK-UHFFFAOYSA-K
XLogP9.28
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.61
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Dibenzo[f,h]quinolin-7-ol
CID 219962
5-(8-Hydroxy-7-piperidin-1-ylmethyl-isoquinolin-5-ylmethyl)-7-piperidin-1-ylmethyl-quinolin-8-ol
CID 136180343
5-[[(8-Hydroxyquinolin-5-yl)methyl-(naphthalen-1-ylmethyl)amino]methyl]quinolin-8-ol
CID 25268547
Beryllium, bis(benzo(h)quinolin-10-olato-kappaN1,kappaO10)-, (T-4)-
CID 22596848
(S)-3,3'-Di(pyridin-2-yl)-[1,1'-binapthalene]-2,2'-diol
CID 135481002
1-(2-Hydroxy-3-quinolin-2-ylnaphthalen-1-yl)-3-quinolin-2-ylnaphthalen-2-ol
CID 136729250
Bis(10-hydroxybenzo[H]quinolinato)beryllium
CID 15333273
Tris(8-hydroxyquinoline)al
CID 16716339
3,20-Diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1(34),2,4,6,8,10(36),11,13,15,17,19,21,23,25,27(35),28,30,32-octadecaene-17,34-diol
CID 136057999
(1S)-3-(1,10-Phenanthrolin-2-yl)-2'-phenyl-[1,1'-binaphthalen]-2-ol
CID 136672961
4,5-Di(pyridin-2-yl)phenanthrene-3,6-diyl diborodifluoridate
CID 91744380
2,7-Dimethyl-4,5-di(pyridin-2-yl)phenanthrene-3,6-diyl diborodifluoridate
CID 91745780

Frequently Asked Questions

What is the IUPAC name of bis(benzo[h]quinolin-10-yloxy)-(4-phenylphenoxy)alumane?
The IUPAC name of bis(benzo[h]quinolin-10-yloxy)-(4-phenylphenoxy)alumane (CID 58895508) is bis(benzo[h]quinolin-10-yloxy)-(4-phenylphenoxy)alumane.
What is the SMILES notation for bis(benzo[h]quinolin-10-yloxy)-(4-phenylphenoxy)alumane?
The canonical SMILES for bis(benzo[h]quinolin-10-yloxy)-(4-phenylphenoxy)alumane is c1ccc(-c2ccc(O[Al](Oc3cccc4ccc5cccnc5c34)Oc3cccc4ccc5cccnc5c34)cc2)cc1.
What is the InChIKey of bis(benzo[h]quinolin-10-yloxy)-(4-phenylphenoxy)alumane?
The InChIKey is OAUAUTWUFAEYGK-UHFFFAOYSA-K. The full InChI is InChI=1S/2C13H9NO.C12H10O.Al/c2*15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;/h2*1-8,15H;1-9,13H;/q;;;+3/p-3.
What are the key properties of bis(benzo[h]quinolin-10-yloxy)-(4-phenylphenoxy)alumane?
bis(benzo[h]quinolin-10-yloxy)-(4-phenylphenoxy)alumane has a molecular weight of 584.61 g/mol, XLogP of 9.28, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(benzo[h]quinolin-10-yloxy)-(4-phenylphenoxy)alumane is sourced from PubChem (CID 58895508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).