[6-(hydroxymethyl)-2-pyridinyl]methanol;bis(1-(2-phosphanyloxynaphthalen-1-yl)naphthalen-2-ol)

C47H39NO6P2 — CID 142850457

IUPAC[6-(hydroxymethyl)-2-pyridinyl]methanol;bis(1-(2-phosphanyloxynaphthalen-1-yl)naphthalen-2-ol)
SMILESOCc1cccc(CO)n1.Oc1ccc2ccccc2c1-c1c(OP)ccc2ccccc12.Oc1ccc2ccccc2c1-c1c(OP)ccc2ccccc12
InChIInChI=1S/2C20H15O2P.C7H9NO2/c2*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)22-23;9-4-6-2-1-3-7(5-10)8-6/h2*1-12,21H,23H2;1-3,9-10H,4-5H2
InChIKeyYKNBVESSYMVRGK-UHFFFAOYSA-N
MW775.78 g/mol
LogP11.14
Rot. Bonds6

About [6-(hydroxymethyl)-2-pyridinyl]methanol;bis(1-(2-phosphanyloxynaphthalen-1-yl)naphthalen-2-ol)

[6-(hydroxymethyl)-2-pyridinyl]methanol;bis(1-(2-phosphanyloxynaphthalen-1-yl)naphthalen-2-ol) (PubChem CID 142850457) has the molecular formula C47H39NO6P2 and a molecular weight of 775.78 g/mol. Its IUPAC name is [6-(hydroxymethyl)-2-pyridinyl]methanol;bis(1-(2-phosphanyloxynaphthalen-1-yl)naphthalen-2-ol).

Molecular Properties

Compound Name[6-(hydroxymethyl)-2-pyridinyl]methanol;bis(1-(2-phosphanyloxynaphthalen-1-yl)naphthalen-2-ol)
PubChem CID142850457
Molecular FormulaC47H39NO6P2
Molecular Weight775.78 g/mol
Exact Mass775.23
IUPAC Name[6-(hydroxymethyl)-2-pyridinyl]methanol;bis(1-(2-phosphanyloxynaphthalen-1-yl)naphthalen-2-ol)
SMILESOCc1cccc(CO)n1.Oc1ccc2ccccc2c1-c1c(OP)ccc2ccccc12.Oc1ccc2ccccc2c1-c1c(OP)ccc2ccccc12
InChIInChI=1S/2C20H15O2P.C7H9NO2/c2*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)22-23;9-4-6-2-1-3-7(5-10)8-6/h2*1-12,21H,23H2;1-3,9-10H,4-5H2
InChIKeyYKNBVESSYMVRGK-UHFFFAOYSA-N
XLogP11.14
TPSA112.27 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.78
LogP ≤ 511.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]oxyphosphane
CID 129073654
[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] hypofluorite
CID 155278938
1-[2-[4-[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]naphthalen-2-ol
CID 12008941
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;methoxymethane
CID 20848816
1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-ol
CID 22935839
[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] dihydrogen phosphate
CID 15162418
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid
CID 173338729
[1-[2-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]oxyphosphane
CID 71241204
1-(2-prop-2-enoxynaphthalen-1-yl)naphthalen-2-ol;sulfane
CID 160621443
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;N-methyl-N-phosphanylmethanamine
CID 142347259
1-(2-pentoxynaphthalen-1-yl)naphthalen-2-ol
CID 58560218
6-(hydroxymethyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 102520249

Frequently Asked Questions

What is the IUPAC name of [6-(hydroxymethyl)-2-pyridinyl]methanol;bis(1-(2-phosphanyloxynaphthalen-1-yl)naphthalen-2-ol)?
The IUPAC name of [6-(hydroxymethyl)-2-pyridinyl]methanol;bis(1-(2-phosphanyloxynaphthalen-1-yl)naphthalen-2-ol) (CID 142850457) is [6-(hydroxymethyl)-2-pyridinyl]methanol;bis(1-(2-phosphanyloxynaphthalen-1-yl)naphthalen-2-ol).
What is the SMILES notation for [6-(hydroxymethyl)-2-pyridinyl]methanol;bis(1-(2-phosphanyloxynaphthalen-1-yl)naphthalen-2-ol)?
The canonical SMILES for [6-(hydroxymethyl)-2-pyridinyl]methanol;bis(1-(2-phosphanyloxynaphthalen-1-yl)naphthalen-2-ol) is OCc1cccc(CO)n1.Oc1ccc2ccccc2c1-c1c(OP)ccc2ccccc12.Oc1ccc2ccccc2c1-c1c(OP)ccc2ccccc12.
What is the InChIKey of [6-(hydroxymethyl)-2-pyridinyl]methanol;bis(1-(2-phosphanyloxynaphthalen-1-yl)naphthalen-2-ol)?
The InChIKey is YKNBVESSYMVRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H15O2P.C7H9NO2/c2*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)22-23;9-4-6-2-1-3-7(5-10)8-6/h2*1-12,21H,23H2;1-3,9-10H,4-5H2.
What are the key properties of [6-(hydroxymethyl)-2-pyridinyl]methanol;bis(1-(2-phosphanyloxynaphthalen-1-yl)naphthalen-2-ol)?
[6-(hydroxymethyl)-2-pyridinyl]methanol;bis(1-(2-phosphanyloxynaphthalen-1-yl)naphthalen-2-ol) has a molecular weight of 775.78 g/mol, XLogP of 11.14, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(hydroxymethyl)-2-pyridinyl]methanol;bis(1-(2-phosphanyloxynaphthalen-1-yl)naphthalen-2-ol) is sourced from PubChem (CID 142850457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).