(4-dibenzothiophen-4-ylphenoxy)-bis[(2-methylquinolin-8-yl)oxy]alumane

C38H27AlN2O3S — CID 140803106

IUPAC(4-dibenzothiophen-4-ylphenoxy)-bis[(2-methylquinolin-8-yl)oxy]alumane
SMILESCc1ccc2cccc(O[Al](Oc3ccc(-c4cccc5c4sc4ccccc45)cc3)Oc3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/C18H12OS.2C10H9NO.Al/c19-13-10-8-12(9-11-13)14-5-3-6-16-15-4-1-2-7-17(15)20-18(14)16;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h1-11,19H;2*2-6,12H,1H3;/q;;;+3/p-3
InChIKeyACWLQKJAYVGEOP-UHFFFAOYSA-K
MW618.69 g/mol
LogP9.96
Rot. Bonds7

About (4-dibenzothiophen-4-ylphenoxy)-bis[(2-methylquinolin-8-yl)oxy]alumane

(4-dibenzothiophen-4-ylphenoxy)-bis[(2-methylquinolin-8-yl)oxy]alumane (PubChem CID 140803106) has the molecular formula C38H27AlN2O3S and a molecular weight of 618.69 g/mol. Its IUPAC name is (4-dibenzothiophen-4-ylphenoxy)-bis[(2-methylquinolin-8-yl)oxy]alumane.

Molecular Properties

Compound Name(4-dibenzothiophen-4-ylphenoxy)-bis[(2-methylquinolin-8-yl)oxy]alumane
PubChem CID140803106
Molecular FormulaC38H27AlN2O3S
Molecular Weight618.69 g/mol
Exact Mass618.16
IUPAC Name(4-dibenzothiophen-4-ylphenoxy)-bis[(2-methylquinolin-8-yl)oxy]alumane
SMILESCc1ccc2cccc(O[Al](Oc3ccc(-c4cccc5c4sc4ccccc45)cc3)Oc3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/C18H12OS.2C10H9NO.Al/c19-13-10-8-12(9-11-13)14-5-3-6-16-15-4-1-2-7-17(15)20-18(14)16;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h1-11,19H;2*2-6,12H,1H3;/q;;;+3/p-3
InChIKeyACWLQKJAYVGEOP-UHFFFAOYSA-K
XLogP9.96
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.69
LogP ≤ 59.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-dibenzothiophen-4-ylphenoxy)-bis[(2-methylquinolin-8-yl)oxy]alumane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
[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
(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
2,2-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-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[(E)-2-(8-hydroxyquinolin-2-yl)ethenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]ethyl]quinolin-8-ol
CID 102524611
Bis[(2-methylquinolin-8-yl)oxy]gallanyl thiophene-3-carboxylate
CID 18346359
Bis[(2-methylquinolin-8-yl)oxy]gallanyl 2-thiophen-2-ylacetate
CID 18346360
Bis[(2-methylquinolin-8-yl)oxy]gallanyl 2-thiophen-3-ylacetate
CID 18346361

Frequently Asked Questions

What is the IUPAC name of (4-dibenzothiophen-4-ylphenoxy)-bis[(2-methylquinolin-8-yl)oxy]alumane?
The IUPAC name of (4-dibenzothiophen-4-ylphenoxy)-bis[(2-methylquinolin-8-yl)oxy]alumane (CID 140803106) is (4-dibenzothiophen-4-ylphenoxy)-bis[(2-methylquinolin-8-yl)oxy]alumane.
What is the SMILES notation for (4-dibenzothiophen-4-ylphenoxy)-bis[(2-methylquinolin-8-yl)oxy]alumane?
The canonical SMILES for (4-dibenzothiophen-4-ylphenoxy)-bis[(2-methylquinolin-8-yl)oxy]alumane is Cc1ccc2cccc(O[Al](Oc3ccc(-c4cccc5c4sc4ccccc45)cc3)Oc3cccc4ccc(C)nc34)c2n1.
What is the InChIKey of (4-dibenzothiophen-4-ylphenoxy)-bis[(2-methylquinolin-8-yl)oxy]alumane?
The InChIKey is ACWLQKJAYVGEOP-UHFFFAOYSA-K. The full InChI is InChI=1S/C18H12OS.2C10H9NO.Al/c19-13-10-8-12(9-11-13)14-5-3-6-16-15-4-1-2-7-17(15)20-18(14)16;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h1-11,19H;2*2-6,12H,1H3;/q;;;+3/p-3.
What are the key properties of (4-dibenzothiophen-4-ylphenoxy)-bis[(2-methylquinolin-8-yl)oxy]alumane?
(4-dibenzothiophen-4-ylphenoxy)-bis[(2-methylquinolin-8-yl)oxy]alumane has a molecular weight of 618.69 g/mol, XLogP of 9.96, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-dibenzothiophen-4-ylphenoxy)-bis[(2-methylquinolin-8-yl)oxy]alumane is sourced from PubChem (CID 140803106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).