(4-phenylphenoxy)-bis(2-pyridin-2-ylphenoxy)alumane

C34H25AlN2O3 — CID 58895496

IUPAC(4-phenylphenoxy)-bis(2-pyridin-2-ylphenoxy)alumane
SMILESc1ccc(-c2ccc(O[Al](Oc3ccccc3-c3ccccn3)Oc3ccccc3-c3ccccn3)cc2)cc1
InChIInChI=1S/C12H10O.2C11H9NO.Al/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;2*13-11-7-2-1-5-9(11)10-6-3-4-8-12-10;/h1-9,13H;2*1-8,13H;/q;;;+3/p-3
InChIKeyNXIIGQUMRGPUDL-UHFFFAOYSA-K
MW536.57 g/mol
LogP8.00
Rot. Bonds9

About (4-phenylphenoxy)-bis(2-pyridin-2-ylphenoxy)alumane

(4-phenylphenoxy)-bis(2-pyridin-2-ylphenoxy)alumane (PubChem CID 58895496) has the molecular formula C34H25AlN2O3 and a molecular weight of 536.57 g/mol. Its IUPAC name is (4-phenylphenoxy)-bis(2-pyridin-2-ylphenoxy)alumane.

Molecular Properties

Compound Name(4-phenylphenoxy)-bis(2-pyridin-2-ylphenoxy)alumane
PubChem CID58895496
Molecular FormulaC34H25AlN2O3
Molecular Weight536.57 g/mol
Exact Mass536.17
IUPAC Name(4-phenylphenoxy)-bis(2-pyridin-2-ylphenoxy)alumane
SMILESc1ccc(-c2ccc(O[Al](Oc3ccccc3-c3ccccn3)Oc3ccccc3-c3ccccn3)cc2)cc1
InChIInChI=1S/C12H10O.2C11H9NO.Al/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;2*13-11-7-2-1-5-9(11)10-6-3-4-8-12-10;/h1-9,13H;2*1-8,13H;/q;;;+3/p-3
InChIKeyNXIIGQUMRGPUDL-UHFFFAOYSA-K
XLogP8.00
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.57
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 58803428
CID 58803428
CID 58803467
CID 58803467
(2-pyridin-2-ylphenyl) hypoiodite
CID 126708282
2-(4-phenyl-2-pyridin-2-ylphenyl)pyridine
CID 142417656
1,1'-biphenyl;2,3-dipyridin-2-ylpyridine
CID 67006222
2-(2-pyridin-2-ylphenoxy)ethanol
CID 170698166
bis(2-isoquinolin-3-ylphenoxy)-naphthalen-2-yloxyalumane
CID 58895505
2-[2-(2-phenylethoxy)phenyl]pyridine
CID 102434679
2-[2-[2-(4-phenylphenyl)ethyl]phenyl]pyridine
CID 135057697
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenoxy)-bis(2-pyridin-2-ylphenoxy)alumane?
The IUPAC name of (4-phenylphenoxy)-bis(2-pyridin-2-ylphenoxy)alumane (CID 58895496) is (4-phenylphenoxy)-bis(2-pyridin-2-ylphenoxy)alumane.
What is the SMILES notation for (4-phenylphenoxy)-bis(2-pyridin-2-ylphenoxy)alumane?
The canonical SMILES for (4-phenylphenoxy)-bis(2-pyridin-2-ylphenoxy)alumane is c1ccc(-c2ccc(O[Al](Oc3ccccc3-c3ccccn3)Oc3ccccc3-c3ccccn3)cc2)cc1.
What is the InChIKey of (4-phenylphenoxy)-bis(2-pyridin-2-ylphenoxy)alumane?
The InChIKey is NXIIGQUMRGPUDL-UHFFFAOYSA-K. The full InChI is InChI=1S/C12H10O.2C11H9NO.Al/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;2*13-11-7-2-1-5-9(11)10-6-3-4-8-12-10;/h1-9,13H;2*1-8,13H;/q;;;+3/p-3.
What are the key properties of (4-phenylphenoxy)-bis(2-pyridin-2-ylphenoxy)alumane?
(4-phenylphenoxy)-bis(2-pyridin-2-ylphenoxy)alumane has a molecular weight of 536.57 g/mol, XLogP of 8.00, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenoxy)-bis(2-pyridin-2-ylphenoxy)alumane is sourced from PubChem (CID 58895496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).