CID 69253745

C30H26AlN2O3 — CID 69253745

IUPAC—
SMILESCc1ccc2cccc(O)c2n1.Cc1ccc2cccc(O)c2n1.Oc1cccc2ccccc12.[Al]
InChIInChI=1S/2C10H9NO.C10H8O.Al/c2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;11-10-7-3-5-8-4-1-2-6-9(8)10;/h2*2-6,12H,1H3;1-7,11H;
InChIKeyJAGYWIBMLYRVOW-UHFFFAOYSA-N
MW489.53 g/mol
LogP6.66
Rot. Bonds

About CID 69253745

CID 69253745 (PubChem CID 69253745) has the molecular formula C30H26AlN2O3 and a molecular weight of 489.53 g/mol.

Molecular Properties

Compound NameCID 69253745
PubChem CID69253745
Molecular FormulaC30H26AlN2O3
Molecular Weight489.53 g/mol
Exact Mass489.18
IUPAC Name—
SMILESCc1ccc2cccc(O)c2n1.Cc1ccc2cccc(O)c2n1.Oc1cccc2ccccc12.[Al]
InChIInChI=1S/2C10H9NO.C10H8O.Al/c2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;11-10-7-3-5-8-4-1-2-6-9(8)10;/h2*2-6,12H,1H3;1-7,11H;
InChIKeyJAGYWIBMLYRVOW-UHFFFAOYSA-N
XLogP6.66
TPSA86.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.53
LogP ≤ 56.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 69253745?
The IUPAC name of CID 69253745 (CID 69253745) is not available.
What is the SMILES notation for CID 69253745?
The canonical SMILES for CID 69253745 is Cc1ccc2cccc(O)c2n1.Cc1ccc2cccc(O)c2n1.Oc1cccc2ccccc12.[Al].
What is the InChIKey of CID 69253745?
The InChIKey is JAGYWIBMLYRVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H9NO.C10H8O.Al/c2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;11-10-7-3-5-8-4-1-2-6-9(8)10;/h2*2-6,12H,1H3;1-7,11H;.
What are the key properties of CID 69253745?
CID 69253745 has a molecular weight of 489.53 g/mol, XLogP of 6.66, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69253745 is sourced from PubChem (CID 69253745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).