naphthalen-1-yl-phenacyl-diphenylphosphanium

C30H24OP+ — CID 139734884

IUPACnaphthalen-1-yl-phenacyl-diphenylphosphanium
SMILESO=C(C[P+](c1ccccc1)(c1ccccc1)c1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C30H24OP/c31-29(25-14-4-1-5-15-25)23-32(26-17-6-2-7-18-26,27-19-8-3-9-20-27)30-22-12-16-24-13-10-11-21-28(24)30/h1-22H,23H2/q+1
InChIKeyGLBBAAQRHXFYOK-UHFFFAOYSA-N
MW431.50 g/mol
LogP6.02
Rot. Bonds6

About naphthalen-1-yl-phenacyl-diphenylphosphanium

naphthalen-1-yl-phenacyl-diphenylphosphanium (PubChem CID 139734884) has the molecular formula C30H24OP+ and a molecular weight of 431.50 g/mol. Its IUPAC name is naphthalen-1-yl-phenacyl-diphenylphosphanium.

Molecular Properties

Compound Namenaphthalen-1-yl-phenacyl-diphenylphosphanium
PubChem CID139734884
Molecular FormulaC30H24OP+
Molecular Weight431.50 g/mol
Exact Mass431.16
IUPAC Namenaphthalen-1-yl-phenacyl-diphenylphosphanium
SMILESO=C(C[P+](c1ccccc1)(c1ccccc1)c1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C30H24OP/c31-29(25-14-4-1-5-15-25)23-32(26-17-6-2-7-18-26,27-19-8-3-9-20-27)30-22-12-16-24-13-10-11-21-28(24)30/h1-22H,23H2/q+1
InChIKeyGLBBAAQRHXFYOK-UHFFFAOYSA-N
XLogP6.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.50
LogP ≤ 56.02
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 naphthalen-1-yl-phenacyl-diphenylphosphanium?
The IUPAC name of naphthalen-1-yl-phenacyl-diphenylphosphanium (CID 139734884) is naphthalen-1-yl-phenacyl-diphenylphosphanium.
What is the SMILES notation for naphthalen-1-yl-phenacyl-diphenylphosphanium?
The canonical SMILES for naphthalen-1-yl-phenacyl-diphenylphosphanium is O=C(C[P+](c1ccccc1)(c1ccccc1)c1cccc2ccccc12)c1ccccc1.
What is the InChIKey of naphthalen-1-yl-phenacyl-diphenylphosphanium?
The InChIKey is GLBBAAQRHXFYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24OP/c31-29(25-14-4-1-5-15-25)23-32(26-17-6-2-7-18-26,27-19-8-3-9-20-27)30-22-12-16-24-13-10-11-21-28(24)30/h1-22H,23H2/q+1.
What are the key properties of naphthalen-1-yl-phenacyl-diphenylphosphanium?
naphthalen-1-yl-phenacyl-diphenylphosphanium has a molecular weight of 431.50 g/mol, XLogP of 6.02, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl-phenacyl-diphenylphosphanium is sourced from PubChem (CID 139734884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).