tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid

C60H48O12P2 — CID 173338729

IUPACtris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid
SMILESOP(O)O.OP(O)O.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12
InChIInChI=1S/3C20H14O2.2H3O3P/c3*21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;2*1-4(2)3/h3*1-12,21-22H;2*1-3H
InChIKeyOKHUILKURIZASN-UHFFFAOYSA-N
MW1022.98 g/mol
LogP13.59
Rot. Bonds3

About tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid

tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid (PubChem CID 173338729) has the molecular formula C60H48O12P2 and a molecular weight of 1022.98 g/mol. Its IUPAC name is tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid.

Molecular Properties

Compound Nametris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid
PubChem CID173338729
Molecular FormulaC60H48O12P2
Molecular Weight1022.98 g/mol
Exact Mass1022.26
IUPAC Nametris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid
SMILESOP(O)O.OP(O)O.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12
InChIInChI=1S/3C20H14O2.2H3O3P/c3*21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;2*1-4(2)3/h3*1-12,21-22H;2*1-3H
InChIKeyOKHUILKURIZASN-UHFFFAOYSA-N
XLogP13.59
TPSA242.76 Ų
H-Bond Donors12
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms74
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001022.98
LogP ≤ 513.59
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;methoxymethane
CID 20848816
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CID 70289333
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
chromium;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;prop-1-ene
CID 10785807
1-[12-(2-hydroxynaphthalen-1-yl)-5,11-dimethylindolo[3,2-b]carbazol-6-yl]naphthalen-2-ol
CID 170680295
[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] hypofluorite
CID 155278938
diphenylarsorylbenzene;gadolinium(3+);1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 11468369
1-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxamide
CID 101266046
1-(2,3-dibromonaphthalen-1-yl)naphthalen-2-ol
CID 67157613
6-(hydroxymethyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 102520249

Frequently Asked Questions

What is the IUPAC name of tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid?
The IUPAC name of tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid (CID 173338729) is tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid.
What is the SMILES notation for tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid?
The canonical SMILES for tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid is OP(O)O.OP(O)O.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.
What is the InChIKey of tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid?
The InChIKey is OKHUILKURIZASN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C20H14O2.2H3O3P/c3*21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;2*1-4(2)3/h3*1-12,21-22H;2*1-3H.
What are the key properties of tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid?
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid has a molecular weight of 1022.98 g/mol, XLogP of 13.59, 3 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid is sourced from PubChem (CID 173338729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).