(5-diphenylphosphanylfuran-2-yl)-diphenylphosphane

C28H22OP2 — CID 634863

IUPAC(5-diphenylphosphanylfuran-2-yl)-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2ccc(P(c3ccccc3)c3ccccc3)o2)cc1
InChIInChI=1S/C28H22OP2/c1-5-13-23(14-6-1)30(24-15-7-2-8-16-24)27-21-22-28(29-27)31(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H
InChIKeyBYNYLAIMMILCGO-UHFFFAOYSA-N
MW436.43 g/mol
LogP4.80
Rot. Bonds6

About (5-diphenylphosphanylfuran-2-yl)-diphenylphosphane

(5-diphenylphosphanylfuran-2-yl)-diphenylphosphane (PubChem CID 634863) has the molecular formula C28H22OP2 and a molecular weight of 436.43 g/mol. Its IUPAC name is (5-diphenylphosphanylfuran-2-yl)-diphenylphosphane.

Molecular Properties

Compound Name(5-diphenylphosphanylfuran-2-yl)-diphenylphosphane
PubChem CID634863
Molecular FormulaC28H22OP2
Molecular Weight436.43 g/mol
Exact Mass436.11
IUPAC Name(5-diphenylphosphanylfuran-2-yl)-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2ccc(P(c3ccccc3)c3ccccc3)o2)cc1
InChIInChI=1S/C28H22OP2/c1-5-13-23(14-6-1)30(24-15-7-2-8-16-24)27-21-22-28(29-27)31(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H
InChIKeyBYNYLAIMMILCGO-UHFFFAOYSA-N
XLogP4.80
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-diphenylphosphanylfuran-2-sulfonic acid
CID 142652032
lithium 5-diphenylphosphanylfuran-2-sulfinate
CID 10829650
triphenylphosphane
CID 139056248
chlorogold;triphenylphosphane
CID 10874691
chlorosilver;triphenylphosphane
CID 12824775
5-[phenyl-(5-sulfinatofuran-2-yl)phosphanyl]furan-2-sulfinate
CID 10523935
CID 87948921
CID 87948921
tris(triphenylphosphane);hydrobromide
CID 172722268
palladium;bis(triphenylphosphane)
CID 10122028
tris(triphenylphosphane);trihydrochloride
CID 173282987
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
triphenylphosphane;yttrium
CID 139917776

Frequently Asked Questions

What is the IUPAC name of (5-diphenylphosphanylfuran-2-yl)-diphenylphosphane?
The IUPAC name of (5-diphenylphosphanylfuran-2-yl)-diphenylphosphane (CID 634863) is (5-diphenylphosphanylfuran-2-yl)-diphenylphosphane.
What is the SMILES notation for (5-diphenylphosphanylfuran-2-yl)-diphenylphosphane?
The canonical SMILES for (5-diphenylphosphanylfuran-2-yl)-diphenylphosphane is c1ccc(P(c2ccccc2)c2ccc(P(c3ccccc3)c3ccccc3)o2)cc1.
What is the InChIKey of (5-diphenylphosphanylfuran-2-yl)-diphenylphosphane?
The InChIKey is BYNYLAIMMILCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22OP2/c1-5-13-23(14-6-1)30(24-15-7-2-8-16-24)27-21-22-28(29-27)31(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H.
What are the key properties of (5-diphenylphosphanylfuran-2-yl)-diphenylphosphane?
(5-diphenylphosphanylfuran-2-yl)-diphenylphosphane has a molecular weight of 436.43 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-diphenylphosphanylfuran-2-yl)-diphenylphosphane is sourced from PubChem (CID 634863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).