bis[(2-methylquinolin-8-yl)oxy]-[4-(5-phenylthiophen-2-yl)phenoxy]alumane

C36H27AlN2O3S — CID 59318906

IUPACbis[(2-methylquinolin-8-yl)oxy]-[4-(5-phenylthiophen-2-yl)phenoxy]alumane
SMILESCc1ccc2cccc(O[Al](Oc3ccc(-c4ccc(-c5ccccc5)s4)cc3)Oc3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/C16H12OS.2C10H9NO.Al/c17-14-8-6-13(7-9-14)16-11-10-15(18-16)12-4-2-1-3-5-12;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h1-11,17H;2*2-6,12H,1H3;/q;;;+3/p-3
InChIKeyYBHTVMXTYAMCTR-UHFFFAOYSA-K
MW594.67 g/mol
LogP9.32
Rot. Bonds8

About bis[(2-methylquinolin-8-yl)oxy]-[4-(5-phenylthiophen-2-yl)phenoxy]alumane

bis[(2-methylquinolin-8-yl)oxy]-[4-(5-phenylthiophen-2-yl)phenoxy]alumane (PubChem CID 59318906) has the molecular formula C36H27AlN2O3S and a molecular weight of 594.67 g/mol. Its IUPAC name is bis[(2-methylquinolin-8-yl)oxy]-[4-(5-phenylthiophen-2-yl)phenoxy]alumane.

Molecular Properties

Compound Namebis[(2-methylquinolin-8-yl)oxy]-[4-(5-phenylthiophen-2-yl)phenoxy]alumane
PubChem CID59318906
Molecular FormulaC36H27AlN2O3S
Molecular Weight594.67 g/mol
Exact Mass594.16
IUPAC Namebis[(2-methylquinolin-8-yl)oxy]-[4-(5-phenylthiophen-2-yl)phenoxy]alumane
SMILESCc1ccc2cccc(O[Al](Oc3ccc(-c4ccc(-c5ccccc5)s4)cc3)Oc3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/C16H12OS.2C10H9NO.Al/c17-14-8-6-13(7-9-14)16-11-10-15(18-16)12-4-2-1-3-5-12;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h1-11,17H;2*2-6,12H,1H3;/q;;;+3/p-3
InChIKeyYBHTVMXTYAMCTR-UHFFFAOYSA-K
XLogP9.32
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.67
LogP ≤ 59.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze bis[(2-methylquinolin-8-yl)oxy]-[4-(5-phenylthiophen-2-yl)phenoxy]alumane with MolForge

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Related Compounds

Bis(8-hydroxy-2-methylquinoline)-(4-phenylphenoxy)aluminum
CID 24941210
Bis[(2-methylquinolin-8-yl)oxy]-[3-(trifluoromethyl)phenoxy]alumane
CID 57806319
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
[4-(4-Fluorophenyl)naphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane
CID 58251639
(2,6-Dimethyl-4-phenylphenoxy)-bis[[2-(trifluoromethyl)quinolin-8-yl]oxy]gallane
CID 58825895
Bis[(2-methylquinolin-8-yl)oxy]-[4-(2,3,4,5,6-pentafluorophenyl)phenoxy]alumane
CID 59399538
2-Methyl-8-[5-(2-methylquinolin-8-yl)oxydibenzotellurophen-5-yl]oxyquinoline
CID 134909128
Bis(2-methyl-8-quinolinolato) Molybdenum
CID 139054921
Iron(3+);tris(2-methylquinolin-8-olate)
CID 139058244
2,2-Bis(1-benzothiophen-2-yl)-3-oxa-1-azonia-2-boranuidatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene
CID 139129272
2,2-Bis(1-benzothiophen-2-yl)-3-oxa-1-azonia-2-boranuidatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene
CID 139129273
Copper;oxidanium;bis(2-methylquinolin-8-olate)
CID 168307754

Frequently Asked Questions

What is the IUPAC name of bis[(2-methylquinolin-8-yl)oxy]-[4-(5-phenylthiophen-2-yl)phenoxy]alumane?
The IUPAC name of bis[(2-methylquinolin-8-yl)oxy]-[4-(5-phenylthiophen-2-yl)phenoxy]alumane (CID 59318906) is bis[(2-methylquinolin-8-yl)oxy]-[4-(5-phenylthiophen-2-yl)phenoxy]alumane.
What is the SMILES notation for bis[(2-methylquinolin-8-yl)oxy]-[4-(5-phenylthiophen-2-yl)phenoxy]alumane?
The canonical SMILES for bis[(2-methylquinolin-8-yl)oxy]-[4-(5-phenylthiophen-2-yl)phenoxy]alumane is Cc1ccc2cccc(O[Al](Oc3ccc(-c4ccc(-c5ccccc5)s4)cc3)Oc3cccc4ccc(C)nc34)c2n1.
What is the InChIKey of bis[(2-methylquinolin-8-yl)oxy]-[4-(5-phenylthiophen-2-yl)phenoxy]alumane?
The InChIKey is YBHTVMXTYAMCTR-UHFFFAOYSA-K. The full InChI is InChI=1S/C16H12OS.2C10H9NO.Al/c17-14-8-6-13(7-9-14)16-11-10-15(18-16)12-4-2-1-3-5-12;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h1-11,17H;2*2-6,12H,1H3;/q;;;+3/p-3.
What are the key properties of bis[(2-methylquinolin-8-yl)oxy]-[4-(5-phenylthiophen-2-yl)phenoxy]alumane?
bis[(2-methylquinolin-8-yl)oxy]-[4-(5-phenylthiophen-2-yl)phenoxy]alumane has a molecular weight of 594.67 g/mol, XLogP of 9.32, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2-methylquinolin-8-yl)oxy]-[4-(5-phenylthiophen-2-yl)phenoxy]alumane is sourced from PubChem (CID 59318906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).