phenanthren-9-yl-di(propan-2-yl)phosphane

C20H23P — CID 139184235

IUPACphenanthren-9-yl-di(propan-2-yl)phosphane
SMILESCC(C)P(c1cc2ccccc2c2ccccc12)C(C)C
InChIInChI=1S/C20H23P/c1-14(2)21(15(3)4)20-13-16-9-5-6-10-17(16)18-11-7-8-12-19(18)20/h5-15H,1-4H3
InChIKeyDZMRNPYNMLLUMI-UHFFFAOYSA-N
MW294.38 g/mol
LogP5.92
Rot. Bonds3

About phenanthren-9-yl-di(propan-2-yl)phosphane

phenanthren-9-yl-di(propan-2-yl)phosphane (PubChem CID 139184235) has the molecular formula C20H23P and a molecular weight of 294.38 g/mol. Its IUPAC name is phenanthren-9-yl-di(propan-2-yl)phosphane.

Molecular Properties

Compound Namephenanthren-9-yl-di(propan-2-yl)phosphane
PubChem CID139184235
Molecular FormulaC20H23P
Molecular Weight294.38 g/mol
Exact Mass294.15
IUPAC Namephenanthren-9-yl-di(propan-2-yl)phosphane
SMILESCC(C)P(c1cc2ccccc2c2ccccc12)C(C)C
InChIInChI=1S/C20H23P/c1-14(2)21(15(3)4)20-13-16-9-5-6-10-17(16)18-11-7-8-12-19(18)20/h5-15H,1-4H3
InChIKeyDZMRNPYNMLLUMI-UHFFFAOYSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.38
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenanthren-9-yl-di(propan-2-yl)phosphane?
The IUPAC name of phenanthren-9-yl-di(propan-2-yl)phosphane (CID 139184235) is phenanthren-9-yl-di(propan-2-yl)phosphane.
What is the SMILES notation for phenanthren-9-yl-di(propan-2-yl)phosphane?
The canonical SMILES for phenanthren-9-yl-di(propan-2-yl)phosphane is CC(C)P(c1cc2ccccc2c2ccccc12)C(C)C.
What is the InChIKey of phenanthren-9-yl-di(propan-2-yl)phosphane?
The InChIKey is DZMRNPYNMLLUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23P/c1-14(2)21(15(3)4)20-13-16-9-5-6-10-17(16)18-11-7-8-12-19(18)20/h5-15H,1-4H3.
What are the key properties of phenanthren-9-yl-di(propan-2-yl)phosphane?
phenanthren-9-yl-di(propan-2-yl)phosphane has a molecular weight of 294.38 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for phenanthren-9-yl-di(propan-2-yl)phosphane is sourced from PubChem (CID 139184235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).