3-diphenylphosphanyl-1-[2-[hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalen-2-ol

C39H29O2P — CID 132942598

IUPAC3-diphenylphosphanyl-1-[2-[hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalen-2-ol
SMILESOc1c(P(c2ccccc2)c2ccccc2)cc2ccccc2c1-c1c(C(O)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C39H29O2P/c40-38(28-15-4-1-5-16-28)34-25-24-27-14-10-12-22-32(27)36(34)37-33-23-13-11-17-29(33)26-35(39(37)41)42(30-18-6-2-7-19-30)31-20-8-3-9-21-31/h1-26,38,40-41H
InChIKeyXQPCCSXKZVITFS-UHFFFAOYSA-N
MW560.63 g/mol
LogP8.21
Rot. Bonds6

About 3-diphenylphosphanyl-1-[2-[hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalen-2-ol

3-diphenylphosphanyl-1-[2-[hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalen-2-ol (PubChem CID 132942598) has the molecular formula C39H29O2P and a molecular weight of 560.63 g/mol. Its IUPAC name is 3-diphenylphosphanyl-1-[2-[hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalen-2-ol.

Molecular Properties

Compound Name3-diphenylphosphanyl-1-[2-[hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalen-2-ol
PubChem CID132942598
Molecular FormulaC39H29O2P
Molecular Weight560.63 g/mol
Exact Mass560.19
IUPAC Name3-diphenylphosphanyl-1-[2-[hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalen-2-ol
SMILESOc1c(P(c2ccccc2)c2ccccc2)cc2ccccc2c1-c1c(C(O)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C39H29O2P/c40-38(28-15-4-1-5-16-28)34-25-24-27-14-10-12-22-32(27)36(34)37-33-23-13-11-17-29(33)26-35(39(37)41)42(30-18-6-2-7-19-30)31-20-8-3-9-21-31/h1-26,38,40-41H
InChIKeyXQPCCSXKZVITFS-UHFFFAOYSA-N
XLogP8.21
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.63
LogP ≤ 58.21
H-Bond Donors ≤ 52
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 3-diphenylphosphanyl-1-[2-[hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalen-2-ol?
The IUPAC name of 3-diphenylphosphanyl-1-[2-[hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalen-2-ol (CID 132942598) is 3-diphenylphosphanyl-1-[2-[hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalen-2-ol.
What is the SMILES notation for 3-diphenylphosphanyl-1-[2-[hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalen-2-ol?
The canonical SMILES for 3-diphenylphosphanyl-1-[2-[hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalen-2-ol is Oc1c(P(c2ccccc2)c2ccccc2)cc2ccccc2c1-c1c(C(O)c2ccccc2)ccc2ccccc12.
What is the InChIKey of 3-diphenylphosphanyl-1-[2-[hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalen-2-ol?
The InChIKey is XQPCCSXKZVITFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29O2P/c40-38(28-15-4-1-5-16-28)34-25-24-27-14-10-12-22-32(27)36(34)37-33-23-13-11-17-29(33)26-35(39(37)41)42(30-18-6-2-7-19-30)31-20-8-3-9-21-31/h1-26,38,40-41H.
What are the key properties of 3-diphenylphosphanyl-1-[2-[hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalen-2-ol?
3-diphenylphosphanyl-1-[2-[hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalen-2-ol has a molecular weight of 560.63 g/mol, XLogP of 8.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diphenylphosphanyl-1-[2-[hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalen-2-ol is sourced from PubChem (CID 132942598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).