[4-(4-fluorophenyl)naphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane

C36H26AlFN2O3 — CID 58251639

IUPAC[4-(4-fluorophenyl)naphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane
SMILESCc1ccc2cccc(O[Al](Oc3ccc(-c4ccc(F)cc4)c4ccccc34)Oc3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/C16H11FO.2C10H9NO.Al/c17-12-7-5-11(6-8-12)13-9-10-16(18)15-4-2-1-3-14(13)15;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h1-10,18H;2*2-6,12H,1H3;/q;;;+3/p-3
InChIKeyVBLQSRRXJZXTAU-UHFFFAOYSA-K
MW580.60 g/mol
LogP8.88
Rot. Bonds7

About [4-(4-fluorophenyl)naphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane

[4-(4-fluorophenyl)naphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane (PubChem CID 58251639) has the molecular formula C36H26AlFN2O3 and a molecular weight of 580.60 g/mol. Its IUPAC name is [4-(4-fluorophenyl)naphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane.

Molecular Properties

Compound Name[4-(4-fluorophenyl)naphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane
PubChem CID58251639
Molecular FormulaC36H26AlFN2O3
Molecular Weight580.60 g/mol
Exact Mass580.17
IUPAC Name[4-(4-fluorophenyl)naphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane
SMILESCc1ccc2cccc(O[Al](Oc3ccc(-c4ccc(F)cc4)c4ccccc34)Oc3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/C16H11FO.2C10H9NO.Al/c17-12-7-5-11(6-8-12)13-9-10-16(18)15-4-2-1-3-14(13)15;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h1-10,18H;2*2-6,12H,1H3;/q;;;+3/p-3
InChIKeyVBLQSRRXJZXTAU-UHFFFAOYSA-K
XLogP8.88
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.60
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Bis(8-hydroxy-2-methylquinoline)-(4-phenylphenoxy)aluminum
CID 24941210
2,2'-(perfluoro-[1,1'-biphenyl]-2,2'-diyl)bis(2-([1,1'-biphenyl]-2-yl)-2H-2l4,3l4-[1,3,2]oxazaborolo[5,4,3-ij]quinoline)
CID 139173409
Aluminum;bis(2-methyl-6-(trifluoromethyl)quinolin-8-olate);naphthalen-2-olate
CID 23023294
Aluminum;4-(4-cyanophenyl)phenolate;bis(2-methyl-5-(trifluoromethyl)quinolin-8-olate)
CID 23135765
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-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
[2,6-Bis(3,5-difluorophenyl)phenoxy]-bis[(2-methylquinolin-8-yl)oxy]gallane
CID 58825902

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)naphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane?
The IUPAC name of [4-(4-fluorophenyl)naphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane (CID 58251639) is [4-(4-fluorophenyl)naphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane.
What is the SMILES notation for [4-(4-fluorophenyl)naphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane?
The canonical SMILES for [4-(4-fluorophenyl)naphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane is Cc1ccc2cccc(O[Al](Oc3ccc(-c4ccc(F)cc4)c4ccccc34)Oc3cccc4ccc(C)nc34)c2n1.
What is the InChIKey of [4-(4-fluorophenyl)naphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane?
The InChIKey is VBLQSRRXJZXTAU-UHFFFAOYSA-K. The full InChI is InChI=1S/C16H11FO.2C10H9NO.Al/c17-12-7-5-11(6-8-12)13-9-10-16(18)15-4-2-1-3-14(13)15;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h1-10,18H;2*2-6,12H,1H3;/q;;;+3/p-3.
What are the key properties of [4-(4-fluorophenyl)naphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane?
[4-(4-fluorophenyl)naphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane has a molecular weight of 580.60 g/mol, XLogP of 8.88, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)naphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane is sourced from PubChem (CID 58251639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).