2-diphenylphosphoryl-1,4-bis(prop-2-enoxy)naphthalene

C28H25O3P — CID 145288694

IUPAC2-diphenylphosphoryl-1,4-bis(prop-2-enoxy)naphthalene
SMILESC=CCOc1cc(P(=O)(c2ccccc2)c2ccccc2)c(OCC=C)c2ccccc12
InChIInChI=1S/C28H25O3P/c1-3-19-30-26-21-27(28(31-20-4-2)25-18-12-11-17-24(25)26)32(29,22-13-7-5-8-14-22)23-15-9-6-10-16-23/h3-18,21H,1-2,19-20H2
InChIKeySICGJHXACJWWRT-UHFFFAOYSA-N
MW440.48 g/mol
LogP5.61
Rot. Bonds9

About 2-diphenylphosphoryl-1,4-bis(prop-2-enoxy)naphthalene

2-diphenylphosphoryl-1,4-bis(prop-2-enoxy)naphthalene (PubChem CID 145288694) has the molecular formula C28H25O3P and a molecular weight of 440.48 g/mol. Its IUPAC name is 2-diphenylphosphoryl-1,4-bis(prop-2-enoxy)naphthalene.

Molecular Properties

Compound Name2-diphenylphosphoryl-1,4-bis(prop-2-enoxy)naphthalene
PubChem CID145288694
Molecular FormulaC28H25O3P
Molecular Weight440.48 g/mol
Exact Mass440.15
IUPAC Name2-diphenylphosphoryl-1,4-bis(prop-2-enoxy)naphthalene
SMILESC=CCOc1cc(P(=O)(c2ccccc2)c2ccccc2)c(OCC=C)c2ccccc12
InChIInChI=1S/C28H25O3P/c1-3-19-30-26-21-27(28(31-20-4-2)25-18-12-11-17-24(25)26)32(29,22-13-7-5-8-14-22)23-15-9-6-10-16-23/h3-18,21H,1-2,19-20H2
InChIKeySICGJHXACJWWRT-UHFFFAOYSA-N
XLogP5.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.48
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphoryl-1,4-bis(prop-2-enoxy)naphthalene?
The IUPAC name of 2-diphenylphosphoryl-1,4-bis(prop-2-enoxy)naphthalene (CID 145288694) is 2-diphenylphosphoryl-1,4-bis(prop-2-enoxy)naphthalene.
What is the SMILES notation for 2-diphenylphosphoryl-1,4-bis(prop-2-enoxy)naphthalene?
The canonical SMILES for 2-diphenylphosphoryl-1,4-bis(prop-2-enoxy)naphthalene is C=CCOc1cc(P(=O)(c2ccccc2)c2ccccc2)c(OCC=C)c2ccccc12.
What is the InChIKey of 2-diphenylphosphoryl-1,4-bis(prop-2-enoxy)naphthalene?
The InChIKey is SICGJHXACJWWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25O3P/c1-3-19-30-26-21-27(28(31-20-4-2)25-18-12-11-17-24(25)26)32(29,22-13-7-5-8-14-22)23-15-9-6-10-16-23/h3-18,21H,1-2,19-20H2.
What are the key properties of 2-diphenylphosphoryl-1,4-bis(prop-2-enoxy)naphthalene?
2-diphenylphosphoryl-1,4-bis(prop-2-enoxy)naphthalene has a molecular weight of 440.48 g/mol, XLogP of 5.61, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphoryl-1,4-bis(prop-2-enoxy)naphthalene is sourced from PubChem (CID 145288694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).