[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane

C33H25OP — CID 4190002

IUPAC[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
SMILESCOc1ccc2ccccc2c1-c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C33H25OP/c1-34-30-22-20-24-12-8-10-18-28(24)32(30)33-29-19-11-9-13-25(29)21-23-31(33)35(26-14-4-2-5-15-26)27-16-6-3-7-17-27/h2-23H,1H3
InChIKeyKRWTWSSMURUMDE-UHFFFAOYSA-N
MW468.54 g/mol
LogP7.43
Rot. Bonds5

About [1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane

[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane (PubChem CID 4190002) has the molecular formula C33H25OP and a molecular weight of 468.54 g/mol. Its IUPAC name is [1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane.

Molecular Properties

Compound Name[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
PubChem CID4190002
Molecular FormulaC33H25OP
Molecular Weight468.54 g/mol
Exact Mass468.16
IUPAC Name[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
SMILESCOc1ccc2ccccc2c1-c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C33H25OP/c1-34-30-22-20-24-12-8-10-18-28(24)32(30)33-29-19-11-9-13-25(29)21-23-31(33)35(26-14-4-2-5-15-26)27-16-6-3-7-17-27/h2-23H,1H3
InChIKeyKRWTWSSMURUMDE-UHFFFAOYSA-N
XLogP7.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.54
LogP ≤ 57.43
H-Bond Donors ≤ 50
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-methoxynaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane?
The IUPAC name of [1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane (CID 4190002) is [1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane.
What is the SMILES notation for [1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane?
The canonical SMILES for [1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane is COc1ccc2ccccc2c1-c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12.
What is the InChIKey of [1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane?
The InChIKey is KRWTWSSMURUMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25OP/c1-34-30-22-20-24-12-8-10-18-28(24)32(30)33-29-19-11-9-13-25(29)21-23-31(33)35(26-14-4-2-5-15-26)27-16-6-3-7-17-27/h2-23H,1H3.
What are the key properties of [1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane?
[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane has a molecular weight of 468.54 g/mol, XLogP of 7.43, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane is sourced from PubChem (CID 4190002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).