CID 20781693

C32H26AlGeN2O2 — CID 20781693

IUPAC—
SMILESCn1c(-c2ccccc2O[Al]O[Ge](c2ccccc2)(c2ccccc2)c2ccccc2)nc2ccccc21
InChIInChI=1S/C18H15GeO.C14H12N2O.Al/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-16-12-8-4-3-7-11(12)15-14(16)10-6-2-5-9-13(10)17;/h1-15H;2-9,17H,1H3;/q-1;;+2/p-1
InChIKeySDPLFLNPPQABAD-UHFFFAOYSA-M
MW570.16 g/mol
LogP4.84
Rot. Bonds8

About CID 20781693

CID 20781693 (PubChem CID 20781693) has the molecular formula C32H26AlGeN2O2 and a molecular weight of 570.16 g/mol.

Molecular Properties

Compound NameCID 20781693
PubChem CID20781693
Molecular FormulaC32H26AlGeN2O2
Molecular Weight570.16 g/mol
Exact Mass571.10
IUPAC Name—
SMILESCn1c(-c2ccccc2O[Al]O[Ge](c2ccccc2)(c2ccccc2)c2ccccc2)nc2ccccc21
InChIInChI=1S/C18H15GeO.C14H12N2O.Al/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-16-12-8-4-3-7-11(12)15-14(16)10-6-2-5-9-13(10)17;/h1-15H;2-9,17H,1H3;/q-1;;+2/p-1
InChIKeySDPLFLNPPQABAD-UHFFFAOYSA-M
XLogP4.84
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.16
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze CID 20781693 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 20781693?
The IUPAC name of CID 20781693 (CID 20781693) is not available.
What is the SMILES notation for CID 20781693?
The canonical SMILES for CID 20781693 is Cn1c(-c2ccccc2O[Al]O[Ge](c2ccccc2)(c2ccccc2)c2ccccc2)nc2ccccc21.
What is the InChIKey of CID 20781693?
The InChIKey is SDPLFLNPPQABAD-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H15GeO.C14H12N2O.Al/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-16-12-8-4-3-7-11(12)15-14(16)10-6-2-5-9-13(10)17;/h1-15H;2-9,17H,1H3;/q-1;;+2/p-1.
What are the key properties of CID 20781693?
CID 20781693 has a molecular weight of 570.16 g/mol, XLogP of 4.84, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20781693 is sourced from PubChem (CID 20781693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).