triphenylphosphane;tris(prop-2-enyl)phosphane

C27H30P2 — CID 175264539

IUPACtriphenylphosphane;tris(prop-2-enyl)phosphane
SMILESC=CCP(CC=C)CC=C.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C9H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-7-10(8-5-2)9-6-3/h1-15H;4-6H,1-3,7-9H2
InChIKeyQGDVEOQJXQDNAS-UHFFFAOYSA-N
MW416.49 g/mol
LogP6.47
Rot. Bonds9

About triphenylphosphane;tris(prop-2-enyl)phosphane

triphenylphosphane;tris(prop-2-enyl)phosphane (PubChem CID 175264539) has the molecular formula C27H30P2 and a molecular weight of 416.49 g/mol. Its IUPAC name is triphenylphosphane;tris(prop-2-enyl)phosphane.

Molecular Properties

Compound Nametriphenylphosphane;tris(prop-2-enyl)phosphane
PubChem CID175264539
Molecular FormulaC27H30P2
Molecular Weight416.49 g/mol
Exact Mass416.18
IUPAC Nametriphenylphosphane;tris(prop-2-enyl)phosphane
SMILESC=CCP(CC=C)CC=C.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C9H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-7-10(8-5-2)9-6-3/h1-15H;4-6H,1-3,7-9H2
InChIKeyQGDVEOQJXQDNAS-UHFFFAOYSA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.49
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

triphenylphosphane
CID 139056248
ethene;platinum;triphenylphosphane
CID 11071312
bis(hept-1-ene);platinum(2+);bis(triphenylphosphane)
CID 139239662
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
tris(triphenylphosphane);trihydrochloride
CID 173282987
palladium;bis(triphenylphosphane)
CID 10122028
tris(triphenylphosphane);hydrobromide
CID 172722268
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
triphenylphosphane;yttrium
CID 139917776
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
silane;triphenylphosphane
CID 161037280
plutonium;triphenylphosphane
CID 161300359

Frequently Asked Questions

What is the IUPAC name of triphenylphosphane;tris(prop-2-enyl)phosphane?
The IUPAC name of triphenylphosphane;tris(prop-2-enyl)phosphane (CID 175264539) is triphenylphosphane;tris(prop-2-enyl)phosphane.
What is the SMILES notation for triphenylphosphane;tris(prop-2-enyl)phosphane?
The canonical SMILES for triphenylphosphane;tris(prop-2-enyl)phosphane is C=CCP(CC=C)CC=C.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenylphosphane;tris(prop-2-enyl)phosphane?
The InChIKey is QGDVEOQJXQDNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.C9H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-7-10(8-5-2)9-6-3/h1-15H;4-6H,1-3,7-9H2.
What are the key properties of triphenylphosphane;tris(prop-2-enyl)phosphane?
triphenylphosphane;tris(prop-2-enyl)phosphane has a molecular weight of 416.49 g/mol, XLogP of 6.47, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenylphosphane;tris(prop-2-enyl)phosphane is sourced from PubChem (CID 175264539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).