CID 143147265

C26H22AlNO5 — CID 143147265

IUPAC—
SMILESCOC(=O)COc1ccc(OCc2nc([Al])c(-c3ccc(-c4ccccc4)cc3)o2)cc1C
InChIInChI=1S/C26H22NO5.Al/c1-18-14-22(12-13-23(18)31-17-26(28)29-2)30-16-25-27-15-24(32-25)21-10-8-20(9-11-21)19-6-4-3-5-7-19;/h3-14H,16-17H2,1-2H3;
InChIKeyMDPNOMMPROEMHC-UHFFFAOYSA-N
MW455.45 g/mol
LogP4.24
Rot. Bonds8

About CID 143147265

CID 143147265 (PubChem CID 143147265) has the molecular formula C26H22AlNO5 and a molecular weight of 455.45 g/mol.

Molecular Properties

Compound NameCID 143147265
PubChem CID143147265
Molecular FormulaC26H22AlNO5
Molecular Weight455.45 g/mol
Exact Mass455.13
IUPAC Name—
SMILESCOC(=O)COc1ccc(OCc2nc([Al])c(-c3ccc(-c4ccccc4)cc3)o2)cc1C
InChIInChI=1S/C26H22NO5.Al/c1-18-14-22(12-13-23(18)31-17-26(28)29-2)30-16-25-27-15-24(32-25)21-10-8-20(9-11-21)19-6-4-3-5-7-19;/h3-14H,16-17H2,1-2H3;
InChIKeyMDPNOMMPROEMHC-UHFFFAOYSA-N
XLogP4.24
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.45
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 143147265?
The IUPAC name of CID 143147265 (CID 143147265) is not available.
What is the SMILES notation for CID 143147265?
The canonical SMILES for CID 143147265 is COC(=O)COc1ccc(OCc2nc([Al])c(-c3ccc(-c4ccccc4)cc3)o2)cc1C.
What is the InChIKey of CID 143147265?
The InChIKey is MDPNOMMPROEMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22NO5.Al/c1-18-14-22(12-13-23(18)31-17-26(28)29-2)30-16-25-27-15-24(32-25)21-10-8-20(9-11-21)19-6-4-3-5-7-19;/h3-14H,16-17H2,1-2H3;.
What are the key properties of CID 143147265?
CID 143147265 has a molecular weight of 455.45 g/mol, XLogP of 4.24, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143147265 is sourced from PubChem (CID 143147265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).