triphenylphosphane

C72H60P4 — CID 139056248

IUPACtriphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15P/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h4*1-15H
InChIKeyQFPHZIRUFBXJID-UHFFFAOYSA-N
MW1049.17 g/mol
LogP13.78
Rot. Bonds12

About triphenylphosphane

triphenylphosphane (PubChem CID 139056248) has the molecular formula C72H60P4 and a molecular weight of 1049.17 g/mol. Its IUPAC name is triphenylphosphane.

Molecular Properties

Compound Nametriphenylphosphane
PubChem CID139056248
Molecular FormulaC72H60P4
Molecular Weight1049.17 g/mol
Exact Mass1048.36
IUPAC Nametriphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15P/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h4*1-15H
InChIKeyQFPHZIRUFBXJID-UHFFFAOYSA-N
XLogP13.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001049.17
LogP ≤ 513.78
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

iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
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
triphenylphosphane;octahydrochloride
CID 172751742
CID 87948921
CID 87948921
platinum;triphenylphosphane
CID 159264630

Frequently Asked Questions

What is the IUPAC name of triphenylphosphane?
The IUPAC name of triphenylphosphane (CID 139056248) is triphenylphosphane.
What is the SMILES notation for triphenylphosphane?
The canonical SMILES for triphenylphosphane is c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenylphosphane?
The InChIKey is QFPHZIRUFBXJID-UHFFFAOYSA-N. The full InChI is InChI=1S/4C18H15P/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h4*1-15H.
What are the key properties of triphenylphosphane?
triphenylphosphane has a molecular weight of 1049.17 g/mol, XLogP of 13.78, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenylphosphane is sourced from PubChem (CID 139056248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).