diphenyl-(2,3,4-triiodophenyl)phosphane

C18H12I3P — CID 158456097

IUPACdiphenyl-(2,3,4-triiodophenyl)phosphane
SMILESIc1ccc(P(c2ccccc2)c2ccccc2)c(I)c1I
InChIInChI=1S/C18H12I3P/c19-15-11-12-16(18(21)17(15)20)22(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H
InChIKeyHGMKXPFVPYARDS-UHFFFAOYSA-N
MW639.98 g/mol
LogP5.26
Rot. Bonds3

About diphenyl-(2,3,4-triiodophenyl)phosphane

diphenyl-(2,3,4-triiodophenyl)phosphane (PubChem CID 158456097) has the molecular formula C18H12I3P and a molecular weight of 639.98 g/mol. Its IUPAC name is diphenyl-(2,3,4-triiodophenyl)phosphane.

Molecular Properties

Compound Namediphenyl-(2,3,4-triiodophenyl)phosphane
PubChem CID158456097
Molecular FormulaC18H12I3P
Molecular Weight639.98 g/mol
Exact Mass639.78
IUPAC Namediphenyl-(2,3,4-triiodophenyl)phosphane
SMILESIc1ccc(P(c2ccccc2)c2ccccc2)c(I)c1I
InChIInChI=1S/C18H12I3P/c19-15-11-12-16(18(21)17(15)20)22(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H
InChIKeyHGMKXPFVPYARDS-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.98
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium
CID 174974517
triphenylphosphane
CID 139056248
iodocopper;triphenylphosphane
CID 12549340
silane;triphenylphosphane
CID 161037280
tris(triphenylphosphane);trihydrochloride
CID 173282987
palladium;bis(triphenylphosphane)
CID 10122028
tris(triphenylphosphane);hydrobromide
CID 172722268
triphenylphosphane;yttrium
CID 139917776
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
plutonium;triphenylphosphane
CID 161300359
triphenylphosphane;octahydrochloride
CID 172751742

Frequently Asked Questions

What is the IUPAC name of diphenyl-(2,3,4-triiodophenyl)phosphane?
The IUPAC name of diphenyl-(2,3,4-triiodophenyl)phosphane (CID 158456097) is diphenyl-(2,3,4-triiodophenyl)phosphane.
What is the SMILES notation for diphenyl-(2,3,4-triiodophenyl)phosphane?
The canonical SMILES for diphenyl-(2,3,4-triiodophenyl)phosphane is Ic1ccc(P(c2ccccc2)c2ccccc2)c(I)c1I.
What is the InChIKey of diphenyl-(2,3,4-triiodophenyl)phosphane?
The InChIKey is HGMKXPFVPYARDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12I3P/c19-15-11-12-16(18(21)17(15)20)22(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H.
What are the key properties of diphenyl-(2,3,4-triiodophenyl)phosphane?
diphenyl-(2,3,4-triiodophenyl)phosphane has a molecular weight of 639.98 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-(2,3,4-triiodophenyl)phosphane is sourced from PubChem (CID 158456097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).