CID 139174937

C19H11Cl4Ge2N3O2 — CID 139174937

IUPAC—
SMILESCl[Ge].Cl[Ge](Cl)Cl.c1cc(-c2nc3ccccc3o2)nc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C19H11N3O2.Cl3Ge.ClGe/c1-3-10-16-12(6-1)21-18(23-16)14-8-5-9-15(20-14)19-22-13-7-2-4-11-17(13)24-19;1-4(2)3;1-2/h1-11H;;
InChIKeyAVIZLBHXQVCSPN-UHFFFAOYSA-N
MW600.35 g/mol
LogP6.69
Rot. Bonds2

About CID 139174937

CID 139174937 (PubChem CID 139174937) has the molecular formula C19H11Cl4Ge2N3O2 and a molecular weight of 600.35 g/mol.

Molecular Properties

Compound NameCID 139174937
PubChem CID139174937
Molecular FormulaC19H11Cl4Ge2N3O2
Molecular Weight600.35 g/mol
Exact Mass600.80
IUPAC Name—
SMILESCl[Ge].Cl[Ge](Cl)Cl.c1cc(-c2nc3ccccc3o2)nc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C19H11N3O2.Cl3Ge.ClGe/c1-3-10-16-12(6-1)21-18(23-16)14-8-5-9-15(20-14)19-22-13-7-2-4-11-17(13)24-19;1-4(2)3;1-2/h1-11H;;
InChIKeyAVIZLBHXQVCSPN-UHFFFAOYSA-N
XLogP6.69
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.35
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole
CID 651855
6-(1,3-benzoxazol-2-yl)-N-[4-[[6-(1,3-benzoxazol-2-yl)pyridine-2-carbonyl]amino]phenyl]pyridine-2-carboxamide
CID 121298749
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
2-pyridin-4-yl-1,3-benzoxazole
CID 16804
2-(4,5-dichloro-1H-imidazol-2-yl)-1,3-benzoxazole
CID 20511918
2-(2-chlorophenyl)-1,3-benzoxazole
CID 3014177
sodium;tetrakis(2-(1,3-benzoxazol-2-yl)quinolin-8-olate);ytterbium(3+)
CID 139126968
2-(4-pyrrol-1-ylphenyl)-1,3-benzoxazole
CID 91677444
2-[3-(3-chlorophenyl)phenyl]-1,3-benzoxazole
CID 166583056
6-(1,3-benzoxazol-2-yl)pyridin-3-ol
CID 136776961
2-(3,4,5-trichlorophenyl)-1,3-benzoxazole
CID 50849649
2-(1-benzofuran-2-yl)-1,3-benzoxazole
CID 9323121

Frequently Asked Questions

What is the IUPAC name of CID 139174937?
The IUPAC name of CID 139174937 (CID 139174937) is not available.
What is the SMILES notation for CID 139174937?
The canonical SMILES for CID 139174937 is Cl[Ge].Cl[Ge](Cl)Cl.c1cc(-c2nc3ccccc3o2)nc(-c2nc3ccccc3o2)c1.
What is the InChIKey of CID 139174937?
The InChIKey is AVIZLBHXQVCSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N3O2.Cl3Ge.ClGe/c1-3-10-16-12(6-1)21-18(23-16)14-8-5-9-15(20-14)19-22-13-7-2-4-11-17(13)24-19;1-4(2)3;1-2/h1-11H;;.
What are the key properties of CID 139174937?
CID 139174937 has a molecular weight of 600.35 g/mol, XLogP of 6.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139174937 is sourced from PubChem (CID 139174937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).