1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-ol

C32H23OP — CID 3736671

IUPAC1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1-c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C32H23OP/c33-29-21-19-23-11-7-9-17-27(23)31(29)32-28-18-10-8-12-24(28)20-22-30(32)34(25-13-3-1-4-14-25)26-15-5-2-6-16-26/h1-22,33H
InChIKeyLWZAKMZAVUALLD-UHFFFAOYSA-N
MW454.51 g/mol
LogP7.12
Rot. Bonds4

About 1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-ol

1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-ol (PubChem CID 3736671) has the molecular formula C32H23OP and a molecular weight of 454.51 g/mol. Its IUPAC name is 1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-ol
PubChem CID3736671
Molecular FormulaC32H23OP
Molecular Weight454.51 g/mol
Exact Mass454.15
IUPAC Name1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1-c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C32H23OP/c33-29-21-19-23-11-7-9-17-27(23)31(29)32-28-18-10-8-12-24(28)20-22-30(32)34(25-13-3-1-4-14-25)26-15-5-2-6-16-26/h1-22,33H
InChIKeyLWZAKMZAVUALLD-UHFFFAOYSA-N
XLogP7.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.51
LogP ≤ 57.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-ol?
The IUPAC name of 1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-ol (CID 3736671) is 1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-ol.
What is the SMILES notation for 1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-ol?
The canonical SMILES for 1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-ol is Oc1ccc2ccccc2c1-c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12.
What is the InChIKey of 1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-ol?
The InChIKey is LWZAKMZAVUALLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23OP/c33-29-21-19-23-11-7-9-17-27(23)31(29)32-28-18-10-8-12-24(28)20-22-30(32)34(25-13-3-1-4-14-25)26-15-5-2-6-16-26/h1-22,33H.
What are the key properties of 1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-ol?
1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-ol has a molecular weight of 454.51 g/mol, XLogP of 7.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-ol is sourced from PubChem (CID 3736671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).