CID 147791161

C25H16Al2N2O4 — CID 147791161

IUPAC—
SMILESCC12CC(C)(Oc3c([Al])nc4ccccc4c3C1=O)C(=O)c1c(c([Al])nc3ccccc13)O2
InChIInChI=1S/C25H16N2O4.2Al/c1-24-13-25(2,23(29)21-15-8-4-6-10-17(15)26-11-18(21)30-24)31-19-12-27-16-9-5-3-7-14(16)20(19)22(24)28;;/h3-10H,13H2,1-2H3;;
InChIKeyKRTCXGCMNGEAGC-UHFFFAOYSA-N
MW462.38 g/mol
LogP2.13
Rot. Bonds

About CID 147791161

CID 147791161 (PubChem CID 147791161) has the molecular formula C25H16Al2N2O4 and a molecular weight of 462.38 g/mol.

Molecular Properties

Compound NameCID 147791161
PubChem CID147791161
Molecular FormulaC25H16Al2N2O4
Molecular Weight462.38 g/mol
Exact Mass462.07
IUPAC Name—
SMILESCC12CC(C)(Oc3c([Al])nc4ccccc4c3C1=O)C(=O)c1c(c([Al])nc3ccccc13)O2
InChIInChI=1S/C25H16N2O4.2Al/c1-24-13-25(2,23(29)21-15-8-4-6-10-17(15)26-11-18(21)30-24)31-19-12-27-16-9-5-3-7-14(16)20(19)22(24)28;;/h3-10H,13H2,1-2H3;;
InChIKeyKRTCXGCMNGEAGC-UHFFFAOYSA-N
XLogP2.13
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.38
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 147791161?
The IUPAC name of CID 147791161 (CID 147791161) is not available.
What is the SMILES notation for CID 147791161?
The canonical SMILES for CID 147791161 is CC12CC(C)(Oc3c([Al])nc4ccccc4c3C1=O)C(=O)c1c(c([Al])nc3ccccc13)O2.
What is the InChIKey of CID 147791161?
The InChIKey is KRTCXGCMNGEAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N2O4.2Al/c1-24-13-25(2,23(29)21-15-8-4-6-10-17(15)26-11-18(21)30-24)31-19-12-27-16-9-5-3-7-14(16)20(19)22(24)28;;/h3-10H,13H2,1-2H3;;.
What are the key properties of CID 147791161?
CID 147791161 has a molecular weight of 462.38 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 147791161 is sourced from PubChem (CID 147791161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).