ethane;triphenylphosphane

C22H27P — CID 90942156

IUPACethane;triphenylphosphane
SMILESCC.CC.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.2C2H6/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2/h1-15H;2*1-2H3
InChIKeyKPBIBWLFBQVOOW-UHFFFAOYSA-N
MW322.43 g/mol
LogP5.50
Rot. Bonds3

About ethane;triphenylphosphane

ethane;triphenylphosphane (PubChem CID 90942156) has the molecular formula C22H27P and a molecular weight of 322.43 g/mol. Its IUPAC name is ethane;triphenylphosphane.

Molecular Properties

Compound Nameethane;triphenylphosphane
PubChem CID90942156
Molecular FormulaC22H27P
Molecular Weight322.43 g/mol
Exact Mass322.19
IUPAC Nameethane;triphenylphosphane
SMILESCC.CC.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.2C2H6/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2/h1-15H;2*1-2H3
InChIKeyKPBIBWLFBQVOOW-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.43
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

triphenylphosphane
CID 139056248
tris(triphenylphosphane);trihydrochloride
CID 173282987
tris(triphenylphosphane);hydrobromide
CID 172722268
palladium;bis(triphenylphosphane)
CID 10122028
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
triphenylphosphane;yttrium
CID 139917776
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
silane;triphenylphosphane
CID 161037280
plutonium;triphenylphosphane
CID 161300359
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
CID 87948921
CID 87948921
triphenylphosphane;octahydrochloride
CID 172751742

Frequently Asked Questions

What is the IUPAC name of ethane;triphenylphosphane?
The IUPAC name of ethane;triphenylphosphane (CID 90942156) is ethane;triphenylphosphane.
What is the SMILES notation for ethane;triphenylphosphane?
The canonical SMILES for ethane;triphenylphosphane is CC.CC.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of ethane;triphenylphosphane?
The InChIKey is KPBIBWLFBQVOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.2C2H6/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2/h1-15H;2*1-2H3.
What are the key properties of ethane;triphenylphosphane?
ethane;triphenylphosphane has a molecular weight of 322.43 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;triphenylphosphane is sourced from PubChem (CID 90942156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).