(2,3-diphenylcycloprop-2-en-1-yl)-triphenylphosphanium tetrafluoroborate

C33H26BF4P — CID 17389459

IUPAC(2,3-diphenylcycloprop-2-en-1-yl)-triphenylphosphanium tetrafluoroborate
SMILESF[B-](F)(F)F.c1ccc(C2=C(c3ccccc3)C2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H26P.BF4/c1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)33(31)34(28-20-10-3-11-21-28,29-22-12-4-13-23-29)30-24-14-5-15-25-30;2-1(3,4)5/h1-25,33H;/q+1;-1
InChIKeyUTMFSNXMFKUKEH-UHFFFAOYSA-N
MW540.35 g/mol
LogP8.27
Rot. Bonds6

About (2,3-diphenylcycloprop-2-en-1-yl)-triphenylphosphanium tetrafluoroborate

(2,3-diphenylcycloprop-2-en-1-yl)-triphenylphosphanium tetrafluoroborate (PubChem CID 17389459) has the molecular formula C33H26BF4P and a molecular weight of 540.35 g/mol. Its IUPAC name is (2,3-diphenylcycloprop-2-en-1-yl)-triphenylphosphanium tetrafluoroborate.

Molecular Properties

Compound Name(2,3-diphenylcycloprop-2-en-1-yl)-triphenylphosphanium tetrafluoroborate
PubChem CID17389459
Molecular FormulaC33H26BF4P
Molecular Weight540.35 g/mol
Exact Mass540.18
IUPAC Name(2,3-diphenylcycloprop-2-en-1-yl)-triphenylphosphanium tetrafluoroborate
SMILESF[B-](F)(F)F.c1ccc(C2=C(c3ccccc3)C2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H26P.BF4/c1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)33(31)34(28-20-10-3-11-21-28,29-22-12-4-13-23-29)30-24-14-5-15-25-30;2-1(3,4)5/h1-25,33H;/q+1;-1
InChIKeyUTMFSNXMFKUKEH-UHFFFAOYSA-N
XLogP8.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.35
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,3-diphenylcycloprop-2-en-1-yl)-triphenylphosphanium tetrafluoroborate?
The IUPAC name of (2,3-diphenylcycloprop-2-en-1-yl)-triphenylphosphanium tetrafluoroborate (CID 17389459) is (2,3-diphenylcycloprop-2-en-1-yl)-triphenylphosphanium tetrafluoroborate.
What is the SMILES notation for (2,3-diphenylcycloprop-2-en-1-yl)-triphenylphosphanium tetrafluoroborate?
The canonical SMILES for (2,3-diphenylcycloprop-2-en-1-yl)-triphenylphosphanium tetrafluoroborate is F[B-](F)(F)F.c1ccc(C2=C(c3ccccc3)C2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2,3-diphenylcycloprop-2-en-1-yl)-triphenylphosphanium tetrafluoroborate?
The InChIKey is UTMFSNXMFKUKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26P.BF4/c1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)33(31)34(28-20-10-3-11-21-28,29-22-12-4-13-23-29)30-24-14-5-15-25-30;2-1(3,4)5/h1-25,33H;/q+1;-1.
What are the key properties of (2,3-diphenylcycloprop-2-en-1-yl)-triphenylphosphanium tetrafluoroborate?
(2,3-diphenylcycloprop-2-en-1-yl)-triphenylphosphanium tetrafluoroborate has a molecular weight of 540.35 g/mol, XLogP of 8.27, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diphenylcycloprop-2-en-1-yl)-triphenylphosphanium tetrafluoroborate is sourced from PubChem (CID 17389459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).