bis[(2-methylquinolin-8-yl)oxy]-naphtho[1,2-b][1]benzothiol-10-yloxyalumane

C36H25AlN2O3S — CID 140803108

IUPACbis[(2-methylquinolin-8-yl)oxy]-naphtho[1,2-b][1]benzothiol-10-yloxyalumane
SMILESCc1ccc2cccc(O[Al](Oc3cccc4ccc(C)nc34)Oc3cccc4c3sc3c5ccccc5ccc43)c2n1
InChIInChI=1S/C16H10OS.2C10H9NO.Al/c17-14-7-3-6-12-13-9-8-10-4-1-2-5-11(10)15(13)18-16(12)14;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h1-9,17H;2*2-6,12H,1H3;/q;;;+3/p-3
InChIKeyDCZYSWQLKDAORU-UHFFFAOYSA-K
MW592.66 g/mol
LogP9.44
Rot. Bonds6

About bis[(2-methylquinolin-8-yl)oxy]-naphtho[1,2-b][1]benzothiol-10-yloxyalumane

bis[(2-methylquinolin-8-yl)oxy]-naphtho[1,2-b][1]benzothiol-10-yloxyalumane (PubChem CID 140803108) has the molecular formula C36H25AlN2O3S and a molecular weight of 592.66 g/mol. Its IUPAC name is bis[(2-methylquinolin-8-yl)oxy]-naphtho[1,2-b][1]benzothiol-10-yloxyalumane.

Molecular Properties

Compound Namebis[(2-methylquinolin-8-yl)oxy]-naphtho[1,2-b][1]benzothiol-10-yloxyalumane
PubChem CID140803108
Molecular FormulaC36H25AlN2O3S
Molecular Weight592.66 g/mol
Exact Mass592.14
IUPAC Namebis[(2-methylquinolin-8-yl)oxy]-naphtho[1,2-b][1]benzothiol-10-yloxyalumane
SMILESCc1ccc2cccc(O[Al](Oc3cccc4ccc(C)nc34)Oc3cccc4c3sc3c5ccccc5ccc43)c2n1
InChIInChI=1S/C16H10OS.2C10H9NO.Al/c17-14-7-3-6-12-13-9-8-10-4-1-2-5-11(10)15(13)18-16(12)14;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h1-9,17H;2*2-6,12H,1H3;/q;;;+3/p-3
InChIKeyDCZYSWQLKDAORU-UHFFFAOYSA-K
XLogP9.44
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.66
LogP ≤ 59.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze bis[(2-methylquinolin-8-yl)oxy]-naphtho[1,2-b][1]benzothiol-10-yloxyalumane 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
(4-Fluoro-5-phenylnaphthalen-1-yl)oxy-bis[(2-methylquinolin-8-yl)oxy]alumane
CID 58251661
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
Bis[(2-methylquinolin-8-yl)oxy]-(6-phenylnaphthalen-2-yl)oxyalumane
CID 57782802
Bis[(2-methylquinolin-8-yl)oxy]-(3-phenylphenoxy)alumane
CID 57806305
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]-naphtho[1,2-b][1]benzothiol-10-yloxyalumane?
The IUPAC name of bis[(2-methylquinolin-8-yl)oxy]-naphtho[1,2-b][1]benzothiol-10-yloxyalumane (CID 140803108) is bis[(2-methylquinolin-8-yl)oxy]-naphtho[1,2-b][1]benzothiol-10-yloxyalumane.
What is the SMILES notation for bis[(2-methylquinolin-8-yl)oxy]-naphtho[1,2-b][1]benzothiol-10-yloxyalumane?
The canonical SMILES for bis[(2-methylquinolin-8-yl)oxy]-naphtho[1,2-b][1]benzothiol-10-yloxyalumane is Cc1ccc2cccc(O[Al](Oc3cccc4ccc(C)nc34)Oc3cccc4c3sc3c5ccccc5ccc43)c2n1.
What is the InChIKey of bis[(2-methylquinolin-8-yl)oxy]-naphtho[1,2-b][1]benzothiol-10-yloxyalumane?
The InChIKey is DCZYSWQLKDAORU-UHFFFAOYSA-K. The full InChI is InChI=1S/C16H10OS.2C10H9NO.Al/c17-14-7-3-6-12-13-9-8-10-4-1-2-5-11(10)15(13)18-16(12)14;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h1-9,17H;2*2-6,12H,1H3;/q;;;+3/p-3.
What are the key properties of bis[(2-methylquinolin-8-yl)oxy]-naphtho[1,2-b][1]benzothiol-10-yloxyalumane?
bis[(2-methylquinolin-8-yl)oxy]-naphtho[1,2-b][1]benzothiol-10-yloxyalumane has a molecular weight of 592.66 g/mol, XLogP of 9.44, 6 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]-naphtho[1,2-b][1]benzothiol-10-yloxyalumane is sourced from PubChem (CID 140803108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).