tris(5-chloroquinolin-8-yl)alumane

C27H15AlCl3N3 — CID 151822878

IUPACtris(5-chloroquinolin-8-yl)alumane
SMILESClc1ccc([Al](c2ccc(Cl)c3cccnc23)c2ccc(Cl)c3cccnc23)c2ncccc12
InChIInChI=1S/3C9H5ClN.Al/c3*10-8-4-1-5-9-7(8)3-2-6-11-9;/h3*1-4,6H;
InChIKeySCZPTWXYBLZMGP-UHFFFAOYSA-N
MW514.78 g/mol
LogP5.81
Rot. Bonds3

About tris(5-chloroquinolin-8-yl)alumane

tris(5-chloroquinolin-8-yl)alumane (PubChem CID 151822878) has the molecular formula C27H15AlCl3N3 and a molecular weight of 514.78 g/mol. Its IUPAC name is tris(5-chloroquinolin-8-yl)alumane.

Molecular Properties

Compound Nametris(5-chloroquinolin-8-yl)alumane
PubChem CID151822878
Molecular FormulaC27H15AlCl3N3
Molecular Weight514.78 g/mol
Exact Mass513.01
IUPAC Nametris(5-chloroquinolin-8-yl)alumane
SMILESClc1ccc([Al](c2ccc(Cl)c3cccnc23)c2ccc(Cl)c3cccnc23)c2ncccc12
InChIInChI=1S/3C9H5ClN.Al/c3*10-8-4-1-5-9-7(8)3-2-6-11-9;/h3*1-4,6H;
InChIKeySCZPTWXYBLZMGP-UHFFFAOYSA-N
XLogP5.81
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.78
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

aluminum tris(5-chloroquinolin-8-olate)
CID 67131824
CID 172791001
CID 172791001
CID 6367063
CID 6367063
calcium;5-chloroquinolin-8-ol;hydride
CID 174353815
potassium;5-chloroquinolin-8-ol;hydride
CID 174478922
CID 12945983
CID 12945983
5-chloroquinoline-8-sulfonyl chloride
CID 4206949
(5-chloroquinolin-8-yl)methylhydrazine
CID 112617928
5-chloro-N-(2-ethylsulfonylethyl)quinolin-8-amine
CID 116783967
2-[(5-chloroquinolin-8-yl)amino]ethanesulfonamide
CID 114384833
8-chloro-5-fluoroquinoline
CID 53435993
4-(5-chloroquinolin-8-yl)azetidin-2-one
CID 112618582

Frequently Asked Questions

What is the IUPAC name of tris(5-chloroquinolin-8-yl)alumane?
The IUPAC name of tris(5-chloroquinolin-8-yl)alumane (CID 151822878) is tris(5-chloroquinolin-8-yl)alumane.
What is the SMILES notation for tris(5-chloroquinolin-8-yl)alumane?
The canonical SMILES for tris(5-chloroquinolin-8-yl)alumane is Clc1ccc([Al](c2ccc(Cl)c3cccnc23)c2ccc(Cl)c3cccnc23)c2ncccc12.
What is the InChIKey of tris(5-chloroquinolin-8-yl)alumane?
The InChIKey is SCZPTWXYBLZMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H5ClN.Al/c3*10-8-4-1-5-9-7(8)3-2-6-11-9;/h3*1-4,6H;.
What are the key properties of tris(5-chloroquinolin-8-yl)alumane?
tris(5-chloroquinolin-8-yl)alumane has a molecular weight of 514.78 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(5-chloroquinolin-8-yl)alumane is sourced from PubChem (CID 151822878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).