3-anthracen-9-ylpropylphosphane

C17H17P — CID 155025823

IUPAC3-anthracen-9-ylpropylphosphane
SMILESPCCCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C17H17P/c18-11-5-10-17-15-8-3-1-6-13(15)12-14-7-2-4-9-16(14)17/h1-4,6-9,12H,5,10-11,18H2
InChIKeyJPRIKKUWIZQGMV-UHFFFAOYSA-N
MW252.30 g/mol
LogP4.80
Rot. Bonds3

About 3-anthracen-9-ylpropylphosphane

3-anthracen-9-ylpropylphosphane (PubChem CID 155025823) has the molecular formula C17H17P and a molecular weight of 252.30 g/mol. Its IUPAC name is 3-anthracen-9-ylpropylphosphane.

Molecular Properties

Compound Name3-anthracen-9-ylpropylphosphane
PubChem CID155025823
Molecular FormulaC17H17P
Molecular Weight252.30 g/mol
Exact Mass252.11
IUPAC Name3-anthracen-9-ylpropylphosphane
SMILESPCCCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C17H17P/c18-11-5-10-17-15-8-3-1-6-13(15)12-14-7-2-4-9-16(14)17/h1-4,6-9,12H,5,10-11,18H2
InChIKeyJPRIKKUWIZQGMV-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-anthracen-9-ylpropylphosphane?
The IUPAC name of 3-anthracen-9-ylpropylphosphane (CID 155025823) is 3-anthracen-9-ylpropylphosphane.
What is the SMILES notation for 3-anthracen-9-ylpropylphosphane?
The canonical SMILES for 3-anthracen-9-ylpropylphosphane is PCCCc1c2ccccc2cc2ccccc12.
What is the InChIKey of 3-anthracen-9-ylpropylphosphane?
The InChIKey is JPRIKKUWIZQGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17P/c18-11-5-10-17-15-8-3-1-6-13(15)12-14-7-2-4-9-16(14)17/h1-4,6-9,12H,5,10-11,18H2.
What are the key properties of 3-anthracen-9-ylpropylphosphane?
3-anthracen-9-ylpropylphosphane has a molecular weight of 252.30 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anthracen-9-ylpropylphosphane is sourced from PubChem (CID 155025823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).