bis(2-isoquinolin-3-ylphenoxy)-naphthalen-2-yloxyalumane

C40H27AlN2O3 — CID 58895505

IUPACbis(2-isoquinolin-3-ylphenoxy)-naphthalen-2-yloxyalumane
SMILESc1ccc(-c2cc3ccccc3cn2)c(O[Al](Oc2ccc3ccccc3c2)Oc2ccccc2-c2cc3ccccc3cn2)c1
InChIInChI=1S/2C15H11NO.C10H8O.Al/c2*17-15-8-4-3-7-13(15)14-9-11-5-1-2-6-12(11)10-16-14;11-10-6-5-8-3-1-2-4-9(8)7-10;/h2*1-10,17H;1-7,11H;/q;;;+3/p-3
InChIKeyLWLNYGBPGTYZLQ-UHFFFAOYSA-K
MW610.65 g/mol
LogP9.79
Rot. Bonds8

About bis(2-isoquinolin-3-ylphenoxy)-naphthalen-2-yloxyalumane

bis(2-isoquinolin-3-ylphenoxy)-naphthalen-2-yloxyalumane (PubChem CID 58895505) has the molecular formula C40H27AlN2O3 and a molecular weight of 610.65 g/mol. Its IUPAC name is bis(2-isoquinolin-3-ylphenoxy)-naphthalen-2-yloxyalumane.

Molecular Properties

Compound Namebis(2-isoquinolin-3-ylphenoxy)-naphthalen-2-yloxyalumane
PubChem CID58895505
Molecular FormulaC40H27AlN2O3
Molecular Weight610.65 g/mol
Exact Mass610.18
IUPAC Namebis(2-isoquinolin-3-ylphenoxy)-naphthalen-2-yloxyalumane
SMILESc1ccc(-c2cc3ccccc3cn2)c(O[Al](Oc2ccc3ccccc3c2)Oc2ccccc2-c2cc3ccccc3cn2)c1
InChIInChI=1S/2C15H11NO.C10H8O.Al/c2*17-15-8-4-3-7-13(15)14-9-11-5-1-2-6-12(11)10-16-14;11-10-6-5-8-3-1-2-4-9(8)7-10;/h2*1-10,17H;1-7,11H;/q;;;+3/p-3
InChIKeyLWLNYGBPGTYZLQ-UHFFFAOYSA-K
XLogP9.79
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.65
LogP ≤ 59.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-phenylphenoxy)-bis(2-pyridin-2-ylphenoxy)alumane
CID 58895496
6-methoxy-3-phenylisoquinoline
CID 68806176
tri(phenanthridin-4-yloxy)alumane
CID 24943485
bis[(2-methylquinolin-8-yl)oxy]-(4-naphthalen-2-ylphenoxy)alumane
CID 58184871
3-azulen-2-ylisoquinoline
CID 139326489
3-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]isoquinoline
CID 118543541
3-[5-tert-butyl-2-(4-tert-butyl-2-isoquinolin-3-ylphenyl)phenyl]isoquinoline
CID 155908966
3-[6-(2-methylphenyl)-2-pyridinyl]isoquinoline
CID 58234805
2-(6-isoquinolin-3-yldibenzothiophen-4-yl)quinoline
CID 171419628
3,15-di(isoquinolin-3-yl)-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
CID 118564641
3-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline
CID 118543537
6-isoquinolin-3-ylpyridin-3-amine
CID 143968927

Frequently Asked Questions

What is the IUPAC name of bis(2-isoquinolin-3-ylphenoxy)-naphthalen-2-yloxyalumane?
The IUPAC name of bis(2-isoquinolin-3-ylphenoxy)-naphthalen-2-yloxyalumane (CID 58895505) is bis(2-isoquinolin-3-ylphenoxy)-naphthalen-2-yloxyalumane.
What is the SMILES notation for bis(2-isoquinolin-3-ylphenoxy)-naphthalen-2-yloxyalumane?
The canonical SMILES for bis(2-isoquinolin-3-ylphenoxy)-naphthalen-2-yloxyalumane is c1ccc(-c2cc3ccccc3cn2)c(O[Al](Oc2ccc3ccccc3c2)Oc2ccccc2-c2cc3ccccc3cn2)c1.
What is the InChIKey of bis(2-isoquinolin-3-ylphenoxy)-naphthalen-2-yloxyalumane?
The InChIKey is LWLNYGBPGTYZLQ-UHFFFAOYSA-K. The full InChI is InChI=1S/2C15H11NO.C10H8O.Al/c2*17-15-8-4-3-7-13(15)14-9-11-5-1-2-6-12(11)10-16-14;11-10-6-5-8-3-1-2-4-9(8)7-10;/h2*1-10,17H;1-7,11H;/q;;;+3/p-3.
What are the key properties of bis(2-isoquinolin-3-ylphenoxy)-naphthalen-2-yloxyalumane?
bis(2-isoquinolin-3-ylphenoxy)-naphthalen-2-yloxyalumane has a molecular weight of 610.65 g/mol, XLogP of 9.79, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-isoquinolin-3-ylphenoxy)-naphthalen-2-yloxyalumane is sourced from PubChem (CID 58895505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).