diphenylarsorylbenzene;gadolinium(3+);1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol

C38H29AsGdO3+3 — CID 11468369

IUPACdiphenylarsorylbenzene;gadolinium(3+);1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
SMILESO=[As](c1ccccc1)(c1ccccc1)c1ccccc1.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.[Gd+3]
InChIInChI=1S/C20H14O2.C18H15AsO.Gd/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-12,21-22H;1-15H;/q;;+3
InChIKeyZONUMTRGVOEAOS-UHFFFAOYSA-N
MW765.82 g/mol
LogP7.16
Rot. Bonds4

About diphenylarsorylbenzene;gadolinium(3+);1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol

diphenylarsorylbenzene;gadolinium(3+);1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol (PubChem CID 11468369) has the molecular formula C38H29AsGdO3+3 and a molecular weight of 765.82 g/mol. Its IUPAC name is diphenylarsorylbenzene;gadolinium(3+);1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol.

Molecular Properties

Compound Namediphenylarsorylbenzene;gadolinium(3+);1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
PubChem CID11468369
Molecular FormulaC38H29AsGdO3+3
Molecular Weight765.82 g/mol
Exact Mass766.06
IUPAC Namediphenylarsorylbenzene;gadolinium(3+);1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
SMILESO=[As](c1ccccc1)(c1ccccc1)c1ccccc1.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.[Gd+3]
InChIInChI=1S/C20H14O2.C18H15AsO.Gd/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-12,21-22H;1-15H;/q;;+3
InChIKeyZONUMTRGVOEAOS-UHFFFAOYSA-N
XLogP7.16
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.82
LogP ≤ 57.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze diphenylarsorylbenzene;gadolinium(3+);1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;methoxymethane
CID 20848816
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid
CID 173338729
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;N-methyl-N-phosphanylmethanamine
CID 142347259
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);hexakis(propan-2-ol);titanium
CID 134903058
bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);bis(propan-2-ol);titanium;hydrate
CID 11764266
cyanic acid;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 70289333
ethane;3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxylic acid
CID 160574931
tert-butyl(diphenyl)silane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 175202561
chromium;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;prop-1-ene
CID 10785807
1-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxamide
CID 101266046
1-[2-di(propan-2-yl)phosphorylnaphthalen-1-yl]naphthalen-2-ol
CID 102399893
[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] dihydrogen phosphate
CID 15162418

Frequently Asked Questions

What is the IUPAC name of diphenylarsorylbenzene;gadolinium(3+);1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The IUPAC name of diphenylarsorylbenzene;gadolinium(3+);1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol (CID 11468369) is diphenylarsorylbenzene;gadolinium(3+);1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol.
What is the SMILES notation for diphenylarsorylbenzene;gadolinium(3+);1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The canonical SMILES for diphenylarsorylbenzene;gadolinium(3+);1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol is O=[As](c1ccccc1)(c1ccccc1)c1ccccc1.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.[Gd+3].
What is the InChIKey of diphenylarsorylbenzene;gadolinium(3+);1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The InChIKey is ZONUMTRGVOEAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O2.C18H15AsO.Gd/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-12,21-22H;1-15H;/q;;+3.
What are the key properties of diphenylarsorylbenzene;gadolinium(3+);1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
diphenylarsorylbenzene;gadolinium(3+);1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol has a molecular weight of 765.82 g/mol, XLogP of 7.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylarsorylbenzene;gadolinium(3+);1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol is sourced from PubChem (CID 11468369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).