CID 58803428

C23H17AlNO2 — CID 58803428

IUPAC—
SMILESc1ccc(-c2ccc(O[Al]Oc3ccccc3-c3ccccn3)cc2)cc1
InChIInChI=1S/C12H10O.C11H9NO.Al/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;13-11-7-2-1-5-9(11)10-6-3-4-8-12-10;/h1-9,13H;1-8,13H;/q;;+2/p-2
InChIKeyMQAVSHNLIVWUEG-UHFFFAOYSA-L
MW366.38 g/mol
LogP5.41
Rot. Bonds6

About CID 58803428

CID 58803428 (PubChem CID 58803428) has the molecular formula C23H17AlNO2 and a molecular weight of 366.38 g/mol.

Molecular Properties

Compound NameCID 58803428
PubChem CID58803428
Molecular FormulaC23H17AlNO2
Molecular Weight366.38 g/mol
Exact Mass366.11
IUPAC Name—
SMILESc1ccc(-c2ccc(O[Al]Oc3ccccc3-c3ccccn3)cc2)cc1
InChIInChI=1S/C12H10O.C11H9NO.Al/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;13-11-7-2-1-5-9(11)10-6-3-4-8-12-10;/h1-9,13H;1-8,13H;/q;;+2/p-2
InChIKeyMQAVSHNLIVWUEG-UHFFFAOYSA-L
XLogP5.41
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.38
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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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
2-[3-[2-[2-phenyl-3,4,5,6-tetrakis(4-phenylphenyl)phenyl]phenyl]phenyl]pyridine
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Frequently Asked Questions

What is the IUPAC name of CID 58803428?
The IUPAC name of CID 58803428 (CID 58803428) is not available.
What is the SMILES notation for CID 58803428?
The canonical SMILES for CID 58803428 is c1ccc(-c2ccc(O[Al]Oc3ccccc3-c3ccccn3)cc2)cc1.
What is the InChIKey of CID 58803428?
The InChIKey is MQAVSHNLIVWUEG-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H10O.C11H9NO.Al/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;13-11-7-2-1-5-9(11)10-6-3-4-8-12-10;/h1-9,13H;1-8,13H;/q;;+2/p-2.
What are the key properties of CID 58803428?
CID 58803428 has a molecular weight of 366.38 g/mol, XLogP of 5.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58803428 is sourced from PubChem (CID 58803428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).