4-anthracen-9-ylbutylphosphane

C18H19P — CID 155025786

IUPAC4-anthracen-9-ylbutylphosphane
SMILESPCCCCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C18H19P/c19-12-6-5-11-18-16-9-3-1-7-14(16)13-15-8-2-4-10-17(15)18/h1-4,7-10,13H,5-6,11-12,19H2
InChIKeyBXRJPMIBESIJJJ-UHFFFAOYSA-N
MW266.32 g/mol
LogP5.19
Rot. Bonds4

About 4-anthracen-9-ylbutylphosphane

4-anthracen-9-ylbutylphosphane (PubChem CID 155025786) has the molecular formula C18H19P and a molecular weight of 266.32 g/mol. Its IUPAC name is 4-anthracen-9-ylbutylphosphane.

Molecular Properties

Compound Name4-anthracen-9-ylbutylphosphane
PubChem CID155025786
Molecular FormulaC18H19P
Molecular Weight266.32 g/mol
Exact Mass266.12
IUPAC Name4-anthracen-9-ylbutylphosphane
SMILESPCCCCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C18H19P/c19-12-6-5-11-18-16-9-3-1-7-14(16)13-15-8-2-4-10-17(15)18/h1-4,7-10,13H,5-6,11-12,19H2
InChIKeyBXRJPMIBESIJJJ-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.32
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-anthracen-9-ylpropylphosphane
CID 155025823
3-anthracen-9-ylpropyl(diphenyl)sulfanium
CID 19782939
3-anthracen-9-ylpropanenitrile
CID 14069397
4-(4-anthracen-9-ylbutoxy)benzonitrile
CID 175778669
9-(anthracen-9-ylmethyl)anthracene;ethane
CID 91026872
anthracen-9-ylmethyloxidanium
CID 143222944
1,2,3-trioctylnaphthalene
CID 20513034
9-[(anthracen-9-ylmethyldiselanyl)methyl]anthracene
CID 12570915
1-heptyl-3-methylnaphthalen-2-ol
CID 135074977
9-(8-acridin-9-yloctyl)acridine
CID 10504492
1,10-bis(hept-6-enyl)anthracene
CID 122392053
6-anthracen-9-ylhexyl 2,2-dimethylbutanoate
CID 123366301

Frequently Asked Questions

What is the IUPAC name of 4-anthracen-9-ylbutylphosphane?
The IUPAC name of 4-anthracen-9-ylbutylphosphane (CID 155025786) is 4-anthracen-9-ylbutylphosphane.
What is the SMILES notation for 4-anthracen-9-ylbutylphosphane?
The canonical SMILES for 4-anthracen-9-ylbutylphosphane is PCCCCc1c2ccccc2cc2ccccc12.
What is the InChIKey of 4-anthracen-9-ylbutylphosphane?
The InChIKey is BXRJPMIBESIJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19P/c19-12-6-5-11-18-16-9-3-1-7-14(16)13-15-8-2-4-10-17(15)18/h1-4,7-10,13H,5-6,11-12,19H2.
What are the key properties of 4-anthracen-9-ylbutylphosphane?
4-anthracen-9-ylbutylphosphane has a molecular weight of 266.32 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anthracen-9-ylbutylphosphane is sourced from PubChem (CID 155025786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).