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

C36H25AlN2O3S — CID 140803121

IUPACbis[(2-methylquinolin-8-yl)oxy]-naphtho[2,3-b][1]benzothiol-4-yloxyalumane
SMILESCc1ccc2cccc(O[Al](Oc3cccc4ccc(C)nc34)Oc3cccc4c3sc3cc5ccccc5cc34)c2n1
InChIInChI=1S/C16H10OS.2C10H9NO.Al/c17-14-7-3-6-12-13-8-10-4-1-2-5-11(10)9-15(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
InChIKeyCQHMFEPVIPDKMP-UHFFFAOYSA-K
MW592.66 g/mol
LogP9.44
Rot. Bonds6

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

bis[(2-methylquinolin-8-yl)oxy]-naphtho[2,3-b][1]benzothiol-4-yloxyalumane (PubChem CID 140803121) 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[2,3-b][1]benzothiol-4-yloxyalumane.

Molecular Properties

Compound Namebis[(2-methylquinolin-8-yl)oxy]-naphtho[2,3-b][1]benzothiol-4-yloxyalumane
PubChem CID140803121
Molecular FormulaC36H25AlN2O3S
Molecular Weight592.66 g/mol
Exact Mass592.14
IUPAC Namebis[(2-methylquinolin-8-yl)oxy]-naphtho[2,3-b][1]benzothiol-4-yloxyalumane
SMILESCc1ccc2cccc(O[Al](Oc3cccc4ccc(C)nc34)Oc3cccc4c3sc3cc5ccccc5cc34)c2n1
InChIInChI=1S/C16H10OS.2C10H9NO.Al/c17-14-7-3-6-12-13-8-10-4-1-2-5-11(10)9-15(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
InChIKeyCQHMFEPVIPDKMP-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[2,3-b][1]benzothiol-4-yloxyalumane with MolForge

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Related Compounds

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]-(10-phenylphenanthren-9-yl)oxyalumane
CID 57806310
Bis[(2-methylquinolin-8-yl)oxy]-(2-phenylphenanthren-1-yl)oxyalumane
CID 57806314
Bis[(2-methylquinolin-8-yl)oxy]-(3-phenylphenanthren-4-yl)oxyalumane
CID 57806318
(3,5-Diphenylphenoxy)-bis[(2-methylquinolin-8-yl)oxy]alumane
CID 57806321
(1,3-Diphenylnaphthalen-2-yl)oxy-bis[(2-methylquinolin-8-yl)oxy]alumane
CID 57806322
Bis[(2-methylquinolin-8-yl)oxy]-(2-phenylnaphthalen-1-yl)oxyalumane
CID 57806326
Bis[(2-methylquinolin-8-yl)oxy]-phenanthren-4-yloxyalumane
CID 57806330
12-[6-(3,5-Dimethylphenyl)naphthalen-2-yl]oxy-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 57831689
[6-(4-Tert-butylphenyl)naphthalen-2-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane
CID 57831698
Bis[(2-methylquinolin-8-yl)oxy]-(6-naphthalen-2-ylnaphthalen-2-yl)oxyalumane
CID 58184653

Frequently Asked Questions

What is the IUPAC name of bis[(2-methylquinolin-8-yl)oxy]-naphtho[2,3-b][1]benzothiol-4-yloxyalumane?
The IUPAC name of bis[(2-methylquinolin-8-yl)oxy]-naphtho[2,3-b][1]benzothiol-4-yloxyalumane (CID 140803121) is bis[(2-methylquinolin-8-yl)oxy]-naphtho[2,3-b][1]benzothiol-4-yloxyalumane.
What is the SMILES notation for bis[(2-methylquinolin-8-yl)oxy]-naphtho[2,3-b][1]benzothiol-4-yloxyalumane?
The canonical SMILES for bis[(2-methylquinolin-8-yl)oxy]-naphtho[2,3-b][1]benzothiol-4-yloxyalumane is Cc1ccc2cccc(O[Al](Oc3cccc4ccc(C)nc34)Oc3cccc4c3sc3cc5ccccc5cc34)c2n1.
What is the InChIKey of bis[(2-methylquinolin-8-yl)oxy]-naphtho[2,3-b][1]benzothiol-4-yloxyalumane?
The InChIKey is CQHMFEPVIPDKMP-UHFFFAOYSA-K. The full InChI is InChI=1S/C16H10OS.2C10H9NO.Al/c17-14-7-3-6-12-13-8-10-4-1-2-5-11(10)9-15(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[2,3-b][1]benzothiol-4-yloxyalumane?
bis[(2-methylquinolin-8-yl)oxy]-naphtho[2,3-b][1]benzothiol-4-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[2,3-b][1]benzothiol-4-yloxyalumane is sourced from PubChem (CID 140803121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).