ethane;1-fluoropropylphosphane;2-(2-pent-2-enyl-2,3-dihydroanthracen-1-yl)pyridine

C29H37FNP — CID 142477041

IUPACethane;1-fluoropropylphosphane;2-(2-pent-2-enyl-2,3-dihydroanthracen-1-yl)pyridine
SMILESCC.CCC(F)P.CCC=CCC1CC=c2cc3ccccc3cc2=C1c1ccccn1
InChIInChI=1S/C24H23N.C3H8FP.C2H6/c1-2-3-4-9-18-13-14-21-16-19-10-5-6-11-20(19)17-22(21)24(18)23-12-7-8-15-25-23;1-2-3(4)5;1-2/h3-8,10-12,14-18H,2,9,13H2,1H3;3H,2,5H2,1H3;1-2H3
InChIKeyALDOXRVLRRENCE-UHFFFAOYSA-N
MW449.59 g/mol
LogP7.18
Rot. Bonds5

About ethane;1-fluoropropylphosphane;2-(2-pent-2-enyl-2,3-dihydroanthracen-1-yl)pyridine

ethane;1-fluoropropylphosphane;2-(2-pent-2-enyl-2,3-dihydroanthracen-1-yl)pyridine (PubChem CID 142477041) has the molecular formula C29H37FNP and a molecular weight of 449.59 g/mol. Its IUPAC name is ethane;1-fluoropropylphosphane;2-(2-pent-2-enyl-2,3-dihydroanthracen-1-yl)pyridine.

Molecular Properties

Compound Nameethane;1-fluoropropylphosphane;2-(2-pent-2-enyl-2,3-dihydroanthracen-1-yl)pyridine
PubChem CID142477041
Molecular FormulaC29H37FNP
Molecular Weight449.59 g/mol
Exact Mass449.26
IUPAC Nameethane;1-fluoropropylphosphane;2-(2-pent-2-enyl-2,3-dihydroanthracen-1-yl)pyridine
SMILESCC.CCC(F)P.CCC=CCC1CC=c2cc3ccccc3cc2=C1c1ccccn1
InChIInChI=1S/C24H23N.C3H8FP.C2H6/c1-2-3-4-9-18-13-14-21-16-19-10-5-6-11-20(19)17-22(21)24(18)23-12-7-8-15-25-23;1-2-3(4)5;1-2/h3-8,10-12,14-18H,2,9,13H2,1H3;3H,2,5H2,1H3;1-2H3
InChIKeyALDOXRVLRRENCE-UHFFFAOYSA-N
XLogP7.18
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.59
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 ethane;1-fluoropropylphosphane;2-(2-pent-2-enyl-2,3-dihydroanthracen-1-yl)pyridine?
The IUPAC name of ethane;1-fluoropropylphosphane;2-(2-pent-2-enyl-2,3-dihydroanthracen-1-yl)pyridine (CID 142477041) is ethane;1-fluoropropylphosphane;2-(2-pent-2-enyl-2,3-dihydroanthracen-1-yl)pyridine.
What is the SMILES notation for ethane;1-fluoropropylphosphane;2-(2-pent-2-enyl-2,3-dihydroanthracen-1-yl)pyridine?
The canonical SMILES for ethane;1-fluoropropylphosphane;2-(2-pent-2-enyl-2,3-dihydroanthracen-1-yl)pyridine is CC.CCC(F)P.CCC=CCC1CC=c2cc3ccccc3cc2=C1c1ccccn1.
What is the InChIKey of ethane;1-fluoropropylphosphane;2-(2-pent-2-enyl-2,3-dihydroanthracen-1-yl)pyridine?
The InChIKey is ALDOXRVLRRENCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N.C3H8FP.C2H6/c1-2-3-4-9-18-13-14-21-16-19-10-5-6-11-20(19)17-22(21)24(18)23-12-7-8-15-25-23;1-2-3(4)5;1-2/h3-8,10-12,14-18H,2,9,13H2,1H3;3H,2,5H2,1H3;1-2H3.
What are the key properties of ethane;1-fluoropropylphosphane;2-(2-pent-2-enyl-2,3-dihydroanthracen-1-yl)pyridine?
ethane;1-fluoropropylphosphane;2-(2-pent-2-enyl-2,3-dihydroanthracen-1-yl)pyridine has a molecular weight of 449.59 g/mol, XLogP of 7.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-fluoropropylphosphane;2-(2-pent-2-enyl-2,3-dihydroanthracen-1-yl)pyridine is sourced from PubChem (CID 142477041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).