[1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalen-2-yl]methanol

C33H25O2P — CID 54257520

IUPAC[1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalen-2-yl]methanol
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1-c1c(CO)ccc2ccccc12
InChIInChI=1S/C33H25O2P/c34-23-26-20-19-24-11-7-9-17-29(24)32(26)33-30-18-10-8-12-25(30)21-22-31(33)36(35,27-13-3-1-4-14-27)28-15-5-2-6-16-28/h1-22,34H,23H2
InChIKeyRBDDPTCHHXDRAV-UHFFFAOYSA-N
MW484.54 g/mol
LogP6.79
Rot. Bonds5

About [1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalen-2-yl]methanol

[1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalen-2-yl]methanol (PubChem CID 54257520) has the molecular formula C33H25O2P and a molecular weight of 484.54 g/mol. Its IUPAC name is [1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalen-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalen-2-yl]methanol
PubChem CID54257520
Molecular FormulaC33H25O2P
Molecular Weight484.54 g/mol
Exact Mass484.16
IUPAC Name[1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalen-2-yl]methanol
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1-c1c(CO)ccc2ccccc12
InChIInChI=1S/C33H25O2P/c34-23-26-20-19-24-11-7-9-17-29(24)32(26)33-30-18-10-8-12-25(30)21-22-31(33)36(35,27-13-3-1-4-14-27)28-15-5-2-6-16-28/h1-22,34H,23H2
InChIKeyRBDDPTCHHXDRAV-UHFFFAOYSA-N
XLogP6.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.54
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalen-2-yl]methanol?
The IUPAC name of [1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalen-2-yl]methanol (CID 54257520) is [1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalen-2-yl]methanol.
What is the SMILES notation for [1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalen-2-yl]methanol?
The canonical SMILES for [1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalen-2-yl]methanol is O=P(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1-c1c(CO)ccc2ccccc12.
What is the InChIKey of [1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalen-2-yl]methanol?
The InChIKey is RBDDPTCHHXDRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25O2P/c34-23-26-20-19-24-11-7-9-17-29(24)32(26)33-30-18-10-8-12-25(30)21-22-31(33)36(35,27-13-3-1-4-14-27)28-15-5-2-6-16-28/h1-22,34H,23H2.
What are the key properties of [1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalen-2-yl]methanol?
[1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalen-2-yl]methanol has a molecular weight of 484.54 g/mol, XLogP of 6.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalen-2-yl]methanol is sourced from PubChem (CID 54257520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).