1-naphthalen-1-ylnaphthalen-2-ol;nitroso-di(propan-2-yloxy)thallane

C26H28NO4Tl — CID 143682111

IUPAC1-naphthalen-1-ylnaphthalen-2-ol;nitroso-di(propan-2-yloxy)thallane
SMILESCC(C)O[Tl](N=O)OC(C)C.Oc1ccc2ccccc2c1-c1cccc2ccccc12
InChIInChI=1S/C20H14O.2C3H7O.NO.Tl/c21-19-13-12-15-7-2-4-10-17(15)20(19)18-11-5-8-14-6-1-3-9-16(14)18;2*1-3(2)4;1-2;/h1-13,21H;2*3H,1-2H3;;/q;3*-1;+3
InChIKeyJKUMSHLJSXGGSV-UHFFFAOYSA-N
MW622.90 g/mol
LogP6.95
Rot. Bonds6

About 1-naphthalen-1-ylnaphthalen-2-ol;nitroso-di(propan-2-yloxy)thallane

1-naphthalen-1-ylnaphthalen-2-ol;nitroso-di(propan-2-yloxy)thallane (PubChem CID 143682111) has the molecular formula C26H28NO4Tl and a molecular weight of 622.90 g/mol. Its IUPAC name is 1-naphthalen-1-ylnaphthalen-2-ol;nitroso-di(propan-2-yloxy)thallane.

Molecular Properties

Compound Name1-naphthalen-1-ylnaphthalen-2-ol;nitroso-di(propan-2-yloxy)thallane
PubChem CID143682111
Molecular FormulaC26H28NO4Tl
Molecular Weight622.90 g/mol
Exact Mass623.18
IUPAC Name1-naphthalen-1-ylnaphthalen-2-ol;nitroso-di(propan-2-yloxy)thallane
SMILESCC(C)O[Tl](N=O)OC(C)C.Oc1ccc2ccccc2c1-c1cccc2ccccc12
InChIInChI=1S/C20H14O.2C3H7O.NO.Tl/c21-19-13-12-15-7-2-4-10-17(15)20(19)18-11-5-8-14-6-1-3-9-16(14)18;2*1-3(2)4;1-2;/h1-13,21H;2*3H,1-2H3;;/q;3*-1;+3
InChIKeyJKUMSHLJSXGGSV-UHFFFAOYSA-N
XLogP6.95
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.90
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);hexakis(propan-2-ol);titanium
CID 134903058
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;methoxymethane
CID 20848816
bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);bis(propan-2-ol);titanium;hydrate
CID 11764266
ethane;1-(2-hydroxy-3-methoxyphenyl)naphthalen-2-ol
CID 144695247
1-[2-(dimethylamino)phenyl]naphthalen-2-ol
CID 56931923
ethoxyethane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;2-(2-hydroxyphenyl)phenol
CID 67656533
1-[2-di(propan-2-yl)phosphorylnaphthalen-1-yl]naphthalen-2-ol
CID 102399893
1-benzo[h]quinolin-10-ylnaphthalen-2-ol
CID 166447439
2-bromo-1-naphthalen-1-ylnaphthalene
CID 620109
1,9,10-trinaphthalen-1-ylanthracene
CID 58322859
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid
CID 173338729
9-(2-tert-butylnaphthalen-1-yl)-10-naphthalen-1-ylanthracene
CID 168720021

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-ylnaphthalen-2-ol;nitroso-di(propan-2-yloxy)thallane?
The IUPAC name of 1-naphthalen-1-ylnaphthalen-2-ol;nitroso-di(propan-2-yloxy)thallane (CID 143682111) is 1-naphthalen-1-ylnaphthalen-2-ol;nitroso-di(propan-2-yloxy)thallane.
What is the SMILES notation for 1-naphthalen-1-ylnaphthalen-2-ol;nitroso-di(propan-2-yloxy)thallane?
The canonical SMILES for 1-naphthalen-1-ylnaphthalen-2-ol;nitroso-di(propan-2-yloxy)thallane is CC(C)O[Tl](N=O)OC(C)C.Oc1ccc2ccccc2c1-c1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-ylnaphthalen-2-ol;nitroso-di(propan-2-yloxy)thallane?
The InChIKey is JKUMSHLJSXGGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O.2C3H7O.NO.Tl/c21-19-13-12-15-7-2-4-10-17(15)20(19)18-11-5-8-14-6-1-3-9-16(14)18;2*1-3(2)4;1-2;/h1-13,21H;2*3H,1-2H3;;/q;3*-1;+3.
What are the key properties of 1-naphthalen-1-ylnaphthalen-2-ol;nitroso-di(propan-2-yloxy)thallane?
1-naphthalen-1-ylnaphthalen-2-ol;nitroso-di(propan-2-yloxy)thallane has a molecular weight of 622.90 g/mol, XLogP of 6.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-ylnaphthalen-2-ol;nitroso-di(propan-2-yloxy)thallane is sourced from PubChem (CID 143682111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).