CID 58795180

C23H18AlO2 — CID 58795180

IUPAC—
SMILESCc1ccc2cccc(O[Al]Oc3ccc(-c4ccccc4)cc3)c2c1
InChIInChI=1S/C12H10O.C11H10O.Al/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-8-5-6-9-3-2-4-11(12)10(9)7-8;/h1-9,13H;2-7,12H,1H3;/q;;+2/p-2
InChIKeyVNTXSSPIXFUXQN-UHFFFAOYSA-L
MW353.38 g/mol
LogP5.81
Rot. Bonds5

About CID 58795180

CID 58795180 (PubChem CID 58795180) has the molecular formula C23H18AlO2 and a molecular weight of 353.38 g/mol.

Molecular Properties

Compound NameCID 58795180
PubChem CID58795180
Molecular FormulaC23H18AlO2
Molecular Weight353.38 g/mol
Exact Mass353.11
IUPAC Name—
SMILESCc1ccc2cccc(O[Al]Oc3ccc(-c4ccccc4)cc3)c2c1
InChIInChI=1S/C12H10O.C11H10O.Al/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-8-5-6-9-3-2-4-11(12)10(9)7-8;/h1-9,13H;2-7,12H,1H3;/q;;+2/p-2
InChIKeyVNTXSSPIXFUXQN-UHFFFAOYSA-L
XLogP5.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.38
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 58795180?
The IUPAC name of CID 58795180 (CID 58795180) is not available.
What is the SMILES notation for CID 58795180?
The canonical SMILES for CID 58795180 is Cc1ccc2cccc(O[Al]Oc3ccc(-c4ccccc4)cc3)c2c1.
What is the InChIKey of CID 58795180?
The InChIKey is VNTXSSPIXFUXQN-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H10O.C11H10O.Al/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-8-5-6-9-3-2-4-11(12)10(9)7-8;/h1-9,13H;2-7,12H,1H3;/q;;+2/p-2.
What are the key properties of CID 58795180?
CID 58795180 has a molecular weight of 353.38 g/mol, XLogP of 5.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58795180 is sourced from PubChem (CID 58795180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).