dihydroxy-dinaphthalen-1-yl-phenoxy-λ5-phosphane

C26H21O3P — CID 57215157

IUPACdihydroxy-dinaphthalen-1-yl-phenoxy-λ5-phosphane
SMILESOP(O)(Oc1ccccc1)(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C26H21O3P/c27-30(28,29-22-14-2-1-3-15-22,25-18-8-12-20-10-4-6-16-23(20)25)26-19-9-13-21-11-5-7-17-24(21)26/h1-19,27-28H
InChIKeyAEHRYHNXMFZRBK-UHFFFAOYSA-N
MW412.43 g/mol
LogP5.31
Rot. Bonds4

About dihydroxy-dinaphthalen-1-yl-phenoxy-λ5-phosphane

dihydroxy-dinaphthalen-1-yl-phenoxy-λ5-phosphane (PubChem CID 57215157) has the molecular formula C26H21O3P and a molecular weight of 412.43 g/mol. Its IUPAC name is dihydroxy-dinaphthalen-1-yl-phenoxy-λ5-phosphane.

Molecular Properties

Compound Namedihydroxy-dinaphthalen-1-yl-phenoxy-λ5-phosphane
PubChem CID57215157
Molecular FormulaC26H21O3P
Molecular Weight412.43 g/mol
Exact Mass412.12
IUPAC Namedihydroxy-dinaphthalen-1-yl-phenoxy-λ5-phosphane
SMILESOP(O)(Oc1ccccc1)(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C26H21O3P/c27-30(28,29-22-14-2-1-3-15-22,25-18-8-12-20-10-4-6-16-23(20)25)26-19-9-13-21-11-5-7-17-24(21)26/h1-19,27-28H
InChIKeyAEHRYHNXMFZRBK-UHFFFAOYSA-N
XLogP5.31
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.43
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dihydroxy-dinaphthalen-1-yl-phenoxy-λ5-phosphane?
The IUPAC name of dihydroxy-dinaphthalen-1-yl-phenoxy-λ5-phosphane (CID 57215157) is dihydroxy-dinaphthalen-1-yl-phenoxy-λ5-phosphane.
What is the SMILES notation for dihydroxy-dinaphthalen-1-yl-phenoxy-λ5-phosphane?
The canonical SMILES for dihydroxy-dinaphthalen-1-yl-phenoxy-λ5-phosphane is OP(O)(Oc1ccccc1)(c1cccc2ccccc12)c1cccc2ccccc12.
What is the InChIKey of dihydroxy-dinaphthalen-1-yl-phenoxy-λ5-phosphane?
The InChIKey is AEHRYHNXMFZRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21O3P/c27-30(28,29-22-14-2-1-3-15-22,25-18-8-12-20-10-4-6-16-23(20)25)26-19-9-13-21-11-5-7-17-24(21)26/h1-19,27-28H.
What are the key properties of dihydroxy-dinaphthalen-1-yl-phenoxy-λ5-phosphane?
dihydroxy-dinaphthalen-1-yl-phenoxy-λ5-phosphane has a molecular weight of 412.43 g/mol, XLogP of 5.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-dinaphthalen-1-yl-phenoxy-λ5-phosphane is sourced from PubChem (CID 57215157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).