3-anthracen-1-ylpentan-3-ylphosphane

C19H21P — CID 175417389

IUPAC3-anthracen-1-ylpentan-3-ylphosphane
SMILESCCC(P)(CC)c1cccc2cc3ccccc3cc12
InChIInChI=1S/C19H21P/c1-3-19(20,4-2)18-11-7-10-16-12-14-8-5-6-9-15(14)13-17(16)18/h5-13H,3-4,20H2,1-2H3
InChIKeyUBDDBVKFTWJOLY-UHFFFAOYSA-N
MW280.35 g/mol
LogP5.88
Rot. Bonds3

About 3-anthracen-1-ylpentan-3-ylphosphane

3-anthracen-1-ylpentan-3-ylphosphane (PubChem CID 175417389) has the molecular formula C19H21P and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-anthracen-1-ylpentan-3-ylphosphane.

Molecular Properties

Compound Name3-anthracen-1-ylpentan-3-ylphosphane
PubChem CID175417389
Molecular FormulaC19H21P
Molecular Weight280.35 g/mol
Exact Mass280.14
IUPAC Name3-anthracen-1-ylpentan-3-ylphosphane
SMILESCCC(P)(CC)c1cccc2cc3ccccc3cc12
InChIInChI=1S/C19H21P/c1-3-19(20,4-2)18-11-7-10-16-12-14-8-5-6-9-15(14)13-17(16)18/h5-13H,3-4,20H2,1-2H3
InChIKeyUBDDBVKFTWJOLY-UHFFFAOYSA-N
XLogP5.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.35
LogP ≤ 55.88
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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Related Compounds

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heptacyclo[16.12.0.02,15.04,13.06,11.020,29.021,26]triaconta-1(30),2,4,6,8,10,12,14,16,18,20(29),21,23,25,27-pentadecaene
CID 21087911
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benzo[a]anthracene;hydrobromide
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Frequently Asked Questions

What is the IUPAC name of 3-anthracen-1-ylpentan-3-ylphosphane?
The IUPAC name of 3-anthracen-1-ylpentan-3-ylphosphane (CID 175417389) is 3-anthracen-1-ylpentan-3-ylphosphane.
What is the SMILES notation for 3-anthracen-1-ylpentan-3-ylphosphane?
The canonical SMILES for 3-anthracen-1-ylpentan-3-ylphosphane is CCC(P)(CC)c1cccc2cc3ccccc3cc12.
What is the InChIKey of 3-anthracen-1-ylpentan-3-ylphosphane?
The InChIKey is UBDDBVKFTWJOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21P/c1-3-19(20,4-2)18-11-7-10-16-12-14-8-5-6-9-15(14)13-17(16)18/h5-13H,3-4,20H2,1-2H3.
What are the key properties of 3-anthracen-1-ylpentan-3-ylphosphane?
3-anthracen-1-ylpentan-3-ylphosphane has a molecular weight of 280.35 g/mol, XLogP of 5.88, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anthracen-1-ylpentan-3-ylphosphane is sourced from PubChem (CID 175417389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).