[4-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]-2,3,5,6-tetradeuteriophenyl]phenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane

C58H44Al2N4O6 — CID 59399547

IUPAC[4-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]-2,3,5,6-tetradeuteriophenyl]phenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane
SMILES[2H]c1c([2H])c(-c2ccc(O[Al](Oc3cccc4ccc(C)nc34)Oc3cccc4ccc(C)nc34)cc2)c([2H])c([2H])c1-c1ccc(O[Al](Oc2cccc3ccc(C)nc23)Oc2cccc3ccc(C)nc23)cc1
InChIInChI=1S/C18H14O2.4C10H9NO.2Al/c19-17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(20)12-8-16;4*1-7-5-6-8-3-2-4-9(12)10(8)11-7;;/h1-12,19-20H;4*2-6,12H,1H3;;/q;;;;;2*+3/p-6/i1D,2D,3D,4D;;;;;;
InChIKeyVFFFAQLNLIZQSP-GEQBAWKXSA-H
MW951.00 g/mol
LogP13.49
Rot. Bonds14

About [4-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]-2,3,5,6-tetradeuteriophenyl]phenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane

[4-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]-2,3,5,6-tetradeuteriophenyl]phenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane (PubChem CID 59399547) has the molecular formula C58H44Al2N4O6 and a molecular weight of 951.00 g/mol. Its IUPAC name is [4-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]-2,3,5,6-tetradeuteriophenyl]phenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane.

Molecular Properties

Compound Name[4-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]-2,3,5,6-tetradeuteriophenyl]phenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane
PubChem CID59399547
Molecular FormulaC58H44Al2N4O6
Molecular Weight951.00 g/mol
Exact Mass950.31
IUPAC Name[4-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]-2,3,5,6-tetradeuteriophenyl]phenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane
SMILES[2H]c1c([2H])c(-c2ccc(O[Al](Oc3cccc4ccc(C)nc34)Oc3cccc4ccc(C)nc34)cc2)c([2H])c([2H])c1-c1ccc(O[Al](Oc2cccc3ccc(C)nc23)Oc2cccc3ccc(C)nc23)cc1
InChIInChI=1S/C18H14O2.4C10H9NO.2Al/c19-17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(20)12-8-16;4*1-7-5-6-8-3-2-4-9(12)10(8)11-7;;/h1-12,19-20H;4*2-6,12H,1H3;;/q;;;;;2*+3/p-6/i1D,2D,3D,4D;;;;;;
InChIKeyVFFFAQLNLIZQSP-GEQBAWKXSA-H
XLogP13.49
TPSA106.94 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500951.00
LogP ≤ 513.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze [4-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]-2,3,5,6-tetradeuteriophenyl]phenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane with MolForge

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Related Compounds

Lithium tetra(2-methyl-8-hydroxyquinolinato)boron
CID 23714786
Bis(8-hydroxy-2-methylquinoline)-(4-phenylphenoxy)aluminum
CID 24941210
Tetrakis(quinolin-8-olate);zirconium(4+)
CID 139195714
Tetrakis[(2-methylquinolin-8-yl)oxy]boranuide
CID 4362975
Bis[(2-methylquinolin-8-yl)oxy]-[3-(trifluoromethyl)phenoxy]alumane
CID 57806319
Bis[[2,4-dimethyl-6-(trifluoromethyl)quinolin-8-yl]oxy]-(2,6-diphenylphenoxy)alumane
CID 57806323
(2,6-Diphenylphenoxy)-bis[[2-methyl-6-(trifluoromethyl)quinolin-8-yl]oxy]alumane
CID 57806335
12-[4-[4-(Trifluoromethyl)phenyl]phenoxy]-11,13-dioxa-4,21-diaza-12-aluminapentacyclo[12.6.2.23,6.05,10.018,22]tetracosa-1(21),3,5,7,9,14,16,18(22),19,23-decaene
CID 57831693
[6-[3,5-Bis(trifluoromethyl)phenyl]naphthalen-2-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane
CID 57831695
[4-(4-Fluorophenyl)naphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane
CID 58251639
(4-Fluoro-5-phenylnaphthalen-1-yl)oxy-bis[(2-methylquinolin-8-yl)oxy]alumane
CID 58251661
(2,6-Dimethyl-4-phenylphenoxy)-bis[[2-(trifluoromethyl)quinolin-8-yl]oxy]gallane
CID 58825895

Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]-2,3,5,6-tetradeuteriophenyl]phenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane?
The IUPAC name of [4-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]-2,3,5,6-tetradeuteriophenyl]phenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane (CID 59399547) is [4-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]-2,3,5,6-tetradeuteriophenyl]phenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane.
What is the SMILES notation for [4-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]-2,3,5,6-tetradeuteriophenyl]phenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane?
The canonical SMILES for [4-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]-2,3,5,6-tetradeuteriophenyl]phenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane is [2H]c1c([2H])c(-c2ccc(O[Al](Oc3cccc4ccc(C)nc34)Oc3cccc4ccc(C)nc34)cc2)c([2H])c([2H])c1-c1ccc(O[Al](Oc2cccc3ccc(C)nc23)Oc2cccc3ccc(C)nc23)cc1.
What is the InChIKey of [4-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]-2,3,5,6-tetradeuteriophenyl]phenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane?
The InChIKey is VFFFAQLNLIZQSP-GEQBAWKXSA-H. The full InChI is InChI=1S/C18H14O2.4C10H9NO.2Al/c19-17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(20)12-8-16;4*1-7-5-6-8-3-2-4-9(12)10(8)11-7;;/h1-12,19-20H;4*2-6,12H,1H3;;/q;;;;;2*+3/p-6/i1D,2D,3D,4D;;;;;;.
What are the key properties of [4-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]-2,3,5,6-tetradeuteriophenyl]phenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane?
[4-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]-2,3,5,6-tetradeuteriophenyl]phenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane has a molecular weight of 951.00 g/mol, XLogP of 13.49, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]-2,3,5,6-tetradeuteriophenyl]phenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane is sourced from PubChem (CID 59399547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).