bis[(2-methylquinolin-8-yl)oxy]-(4-naphtho[2,3-b][1]benzothiol-6-ylphenoxy)alumane

C42H29AlN2O3S — CID 140803110

IUPACbis[(2-methylquinolin-8-yl)oxy]-(4-naphtho[2,3-b][1]benzothiol-6-ylphenoxy)alumane
SMILESCc1ccc2cccc(O[Al](Oc3ccc(-c4c5ccccc5cc5c4sc4ccccc45)cc3)Oc3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/C22H14OS.2C10H9NO.Al/c23-16-11-9-14(10-12-16)21-17-6-2-1-5-15(17)13-19-18-7-3-4-8-20(18)24-22(19)21;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h1-13,23H;2*2-6,12H,1H3;/q;;;+3/p-3
InChIKeyHLKYONRFJSSUAV-UHFFFAOYSA-K
MW668.75 g/mol
LogP11.11
Rot. Bonds7

About bis[(2-methylquinolin-8-yl)oxy]-(4-naphtho[2,3-b][1]benzothiol-6-ylphenoxy)alumane

bis[(2-methylquinolin-8-yl)oxy]-(4-naphtho[2,3-b][1]benzothiol-6-ylphenoxy)alumane (PubChem CID 140803110) has the molecular formula C42H29AlN2O3S and a molecular weight of 668.75 g/mol. Its IUPAC name is bis[(2-methylquinolin-8-yl)oxy]-(4-naphtho[2,3-b][1]benzothiol-6-ylphenoxy)alumane.

Molecular Properties

Compound Namebis[(2-methylquinolin-8-yl)oxy]-(4-naphtho[2,3-b][1]benzothiol-6-ylphenoxy)alumane
PubChem CID140803110
Molecular FormulaC42H29AlN2O3S
Molecular Weight668.75 g/mol
Exact Mass668.17
IUPAC Namebis[(2-methylquinolin-8-yl)oxy]-(4-naphtho[2,3-b][1]benzothiol-6-ylphenoxy)alumane
SMILESCc1ccc2cccc(O[Al](Oc3ccc(-c4c5ccccc5cc5c4sc4ccccc45)cc3)Oc3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/C22H14OS.2C10H9NO.Al/c23-16-11-9-14(10-12-16)21-17-6-2-1-5-15(17)13-19-18-7-3-4-8-20(18)24-22(19)21;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h1-13,23H;2*2-6,12H,1H3;/q;;;+3/p-3
InChIKeyHLKYONRFJSSUAV-UHFFFAOYSA-K
XLogP11.11
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.75
LogP ≤ 511.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze bis[(2-methylquinolin-8-yl)oxy]-(4-naphtho[2,3-b][1]benzothiol-6-ylphenoxy)alumane with MolForge

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Related Compounds

[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
(2-Quinolin-2-ylphenanthro[10,9-b]thiophen-9-yl) trifluoromethanesulfonate
CID 89375699
Bis[(2-methylquinolin-8-yl)oxy]-[4-(3-prop-1-en-2-ylphenyl)phenoxy]alumane
CID 57623715
[4-(4-Ethenylphenyl)phenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane
CID 57623723
[4-(4-Butan-2-ylphenyl)phenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane
CID 57623733
Bis[(2-methylquinolin-8-yl)oxy]-(6-phenylnaphthalen-2-yl)oxyalumane
CID 57782802
Bis[(2-methylquinolin-8-yl)oxy]-(8-phenylnaphthalen-1-yl)oxyalumane
CID 57806307
Bis[(2-methylquinolin-8-yl)oxy]-(3,4,5-triphenylphenoxy)alumane
CID 57806309
Bis[(2-methylquinolin-8-yl)oxy]-(10-phenylphenanthren-9-yl)oxyalumane
CID 57806310
Bis[(2-methylquinolin-8-yl)oxy]-(2,4,5-triphenylphenoxy)alumane
CID 57806313
Bis[(2-methylquinolin-8-yl)oxy]-(2-phenylphenanthren-1-yl)oxyalumane
CID 57806314

Frequently Asked Questions

What is the IUPAC name of bis[(2-methylquinolin-8-yl)oxy]-(4-naphtho[2,3-b][1]benzothiol-6-ylphenoxy)alumane?
The IUPAC name of bis[(2-methylquinolin-8-yl)oxy]-(4-naphtho[2,3-b][1]benzothiol-6-ylphenoxy)alumane (CID 140803110) is bis[(2-methylquinolin-8-yl)oxy]-(4-naphtho[2,3-b][1]benzothiol-6-ylphenoxy)alumane.
What is the SMILES notation for bis[(2-methylquinolin-8-yl)oxy]-(4-naphtho[2,3-b][1]benzothiol-6-ylphenoxy)alumane?
The canonical SMILES for bis[(2-methylquinolin-8-yl)oxy]-(4-naphtho[2,3-b][1]benzothiol-6-ylphenoxy)alumane is Cc1ccc2cccc(O[Al](Oc3ccc(-c4c5ccccc5cc5c4sc4ccccc45)cc3)Oc3cccc4ccc(C)nc34)c2n1.
What is the InChIKey of bis[(2-methylquinolin-8-yl)oxy]-(4-naphtho[2,3-b][1]benzothiol-6-ylphenoxy)alumane?
The InChIKey is HLKYONRFJSSUAV-UHFFFAOYSA-K. The full InChI is InChI=1S/C22H14OS.2C10H9NO.Al/c23-16-11-9-14(10-12-16)21-17-6-2-1-5-15(17)13-19-18-7-3-4-8-20(18)24-22(19)21;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h1-13,23H;2*2-6,12H,1H3;/q;;;+3/p-3.
What are the key properties of bis[(2-methylquinolin-8-yl)oxy]-(4-naphtho[2,3-b][1]benzothiol-6-ylphenoxy)alumane?
bis[(2-methylquinolin-8-yl)oxy]-(4-naphtho[2,3-b][1]benzothiol-6-ylphenoxy)alumane has a molecular weight of 668.75 g/mol, XLogP of 11.11, 7 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-naphtho[2,3-b][1]benzothiol-6-ylphenoxy)alumane is sourced from PubChem (CID 140803110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).