(1,1-diphenylprop-1-en-2-yl-methyl-phenylphosphaniumyl)boranuide

C22H24BP — CID 139090387

IUPAC(1,1-diphenylprop-1-en-2-yl-methyl-phenylphosphaniumyl)boranuide
SMILES[BH3-][P@+](C)(C(C)=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24BP/c1-18(24(2,23)21-16-10-5-11-17-21)22(19-12-6-3-7-13-19)20-14-8-4-9-15-20/h3-17H,1-2,23H3/t24-/m1/s1
InChIKeyKWESZROPKAOCJU-XMMPIXPASA-N
MW330.22 g/mol
LogP4.72
Rot. Bonds4

About (1,1-diphenylprop-1-en-2-yl-methyl-phenylphosphaniumyl)boranuide

(1,1-diphenylprop-1-en-2-yl-methyl-phenylphosphaniumyl)boranuide (PubChem CID 139090387) has the molecular formula C22H24BP and a molecular weight of 330.22 g/mol. Its IUPAC name is (1,1-diphenylprop-1-en-2-yl-methyl-phenylphosphaniumyl)boranuide.

Molecular Properties

Compound Name(1,1-diphenylprop-1-en-2-yl-methyl-phenylphosphaniumyl)boranuide
PubChem CID139090387
Molecular FormulaC22H24BP
Molecular Weight330.22 g/mol
Exact Mass330.17
IUPAC Name(1,1-diphenylprop-1-en-2-yl-methyl-phenylphosphaniumyl)boranuide
SMILES[BH3-][P@+](C)(C(C)=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24BP/c1-18(24(2,23)21-16-10-5-11-17-21)22(19-12-6-3-7-13-19)20-14-8-4-9-15-20/h3-17H,1-2,23H3/t24-/m1/s1
InChIKeyKWESZROPKAOCJU-XMMPIXPASA-N
XLogP4.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 54.72
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'}

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Related Compounds

(2,3-dimethyl-1-phenylbut-1-enyl)benzene
CID 15438795
CID 67882804
CID 67882804
phosphane;1,2,2-triphenylethenylbenzene
CID 157288563
(2,3-dibromo-1-phenylbut-1-enyl)benzene
CID 13149982
ditert-butyl(1,1-diphenylprop-1-en-2-yl)phosphane
CID 12010825
1-hydroxyethyl(triphenyl)phosphanium chloride
CID 22164733
bis(hydroxymethyl)-methyl-phenylphosphanium
CID 3061532
dilithium;hydride;1,2,2-triphenylethenylbenzene
CID 173364079
triphenyl(propan-2-yl)phosphanium hydroxide
CID 18356098
hydroxy-phenyl-di(propan-2-yl)phosphanium
CID 67469476
1-[4-[(E)-2-(4-acetylphenyl)-1,2-diphenylethenyl]phenyl]ethanone
CID 10669604
dimethyl(diphenyl)phosphanium benzoate
CID 18355987

Frequently Asked Questions

What is the IUPAC name of (1,1-diphenylprop-1-en-2-yl-methyl-phenylphosphaniumyl)boranuide?
The IUPAC name of (1,1-diphenylprop-1-en-2-yl-methyl-phenylphosphaniumyl)boranuide (CID 139090387) is (1,1-diphenylprop-1-en-2-yl-methyl-phenylphosphaniumyl)boranuide.
What is the SMILES notation for (1,1-diphenylprop-1-en-2-yl-methyl-phenylphosphaniumyl)boranuide?
The canonical SMILES for (1,1-diphenylprop-1-en-2-yl-methyl-phenylphosphaniumyl)boranuide is [BH3-][P@+](C)(C(C)=C(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (1,1-diphenylprop-1-en-2-yl-methyl-phenylphosphaniumyl)boranuide?
The InChIKey is KWESZROPKAOCJU-XMMPIXPASA-N. The full InChI is InChI=1S/C22H24BP/c1-18(24(2,23)21-16-10-5-11-17-21)22(19-12-6-3-7-13-19)20-14-8-4-9-15-20/h3-17H,1-2,23H3/t24-/m1/s1.
What are the key properties of (1,1-diphenylprop-1-en-2-yl-methyl-phenylphosphaniumyl)boranuide?
(1,1-diphenylprop-1-en-2-yl-methyl-phenylphosphaniumyl)boranuide has a molecular weight of 330.22 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-diphenylprop-1-en-2-yl-methyl-phenylphosphaniumyl)boranuide is sourced from PubChem (CID 139090387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).