(S)-((R)-3-([1,1'-biphenyl]-4-yl)propa-1,2-dien-1-yl)(isopropyl)(phenyl)phosphane borane

C24H23BP — CID 164513864

IUPAC—
SMILESCC(C)P(C=C=Cc1ccc(-c2ccccc2)cc1)c1ccccc1.[B]
InChIInChI=1S/C24H23P.B/c1-20(2)25(24-13-7-4-8-14-24)19-9-10-21-15-17-23(18-16-21)22-11-5-3-6-12-22;/h3-8,10-20H,1-2H3;
InChIKeyQWPVZTUVWFARED-UHFFFAOYSA-N
MW353.23 g/mol
LogP6.31
Rot. Bonds5

About (S)-((R)-3-([1,1'-biphenyl]-4-yl)propa-1,2-dien-1-yl)(isopropyl)(phenyl)phosphane borane

(S)-((R)-3-([1,1'-biphenyl]-4-yl)propa-1,2-dien-1-yl)(isopropyl)(phenyl)phosphane borane (PubChem CID 164513864) has the molecular formula C24H23BP and a molecular weight of 353.23 g/mol.

Molecular Properties

Compound Name(S)-((R)-3-([1,1'-biphenyl]-4-yl)propa-1,2-dien-1-yl)(isopropyl)(phenyl)phosphane borane
PubChem CID164513864
Molecular FormulaC24H23BP
Molecular Weight353.23 g/mol
Exact Mass353.16
IUPAC Name—
SMILESCC(C)P(C=C=Cc1ccc(-c2ccccc2)cc1)c1ccccc1.[B]
InChIInChI=1S/C24H23P.B/c1-20(2)25(24-13-7-4-8-14-24)19-9-10-21-15-17-23(18-16-21)22-11-5-3-6-12-22;/h3-8,10-20H,1-2H3;
InChIKeyQWPVZTUVWFARED-UHFFFAOYSA-N
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.23
LogP ≤ 56.31
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

(S)-isopropyl((R)-3-phenylpropa-1,2-dien-1-yl)(p-tolyl)phosphane borane
CID 164513828
1-methyl-4-(3-phenylpropa-1,2-dienyl)benzene
CID 10262404
ethyl-phenyl-(4-phenylphenyl)phosphane
CID 21301209
(E)-4-(4-phenylphenyl)but-3-en-2-amine
CID 83350140
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
[(2R,3R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 2724948
1,4-bis[3-(4-methylphenyl)propa-1,2-dienyl]benzene
CID 10592855
1-phenyl-4-[(E)-3-(4-phenylphenyl)but-1-enyl]benzene
CID 102073243
1-tert-butyl-4-(3-phenylpropa-1,2-dienyl)benzene
CID 101460715
1-phenyl-4-[4-[1-(4-phenylphenyl)ethyl]phenyl]benzene
CID 174323056
1-phenyl-4-[(1Z,3E)-4-(4-phenylphenyl)buta-1,3-dienyl]benzene
CID 54609084

Frequently Asked Questions

What is the IUPAC name of (S)-((R)-3-([1,1'-biphenyl]-4-yl)propa-1,2-dien-1-yl)(isopropyl)(phenyl)phosphane borane?
The IUPAC name of (S)-((R)-3-([1,1'-biphenyl]-4-yl)propa-1,2-dien-1-yl)(isopropyl)(phenyl)phosphane borane (CID 164513864) is not available.
What is the SMILES notation for (S)-((R)-3-([1,1'-biphenyl]-4-yl)propa-1,2-dien-1-yl)(isopropyl)(phenyl)phosphane borane?
The canonical SMILES for (S)-((R)-3-([1,1'-biphenyl]-4-yl)propa-1,2-dien-1-yl)(isopropyl)(phenyl)phosphane borane is CC(C)P(C=C=Cc1ccc(-c2ccccc2)cc1)c1ccccc1.[B].
What is the InChIKey of (S)-((R)-3-([1,1'-biphenyl]-4-yl)propa-1,2-dien-1-yl)(isopropyl)(phenyl)phosphane borane?
The InChIKey is QWPVZTUVWFARED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23P.B/c1-20(2)25(24-13-7-4-8-14-24)19-9-10-21-15-17-23(18-16-21)22-11-5-3-6-12-22;/h3-8,10-20H,1-2H3;.
What are the key properties of (S)-((R)-3-([1,1'-biphenyl]-4-yl)propa-1,2-dien-1-yl)(isopropyl)(phenyl)phosphane borane?
(S)-((R)-3-([1,1'-biphenyl]-4-yl)propa-1,2-dien-1-yl)(isopropyl)(phenyl)phosphane borane has a molecular weight of 353.23 g/mol, XLogP of 6.31, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-((R)-3-([1,1'-biphenyl]-4-yl)propa-1,2-dien-1-yl)(isopropyl)(phenyl)phosphane borane is sourced from PubChem (CID 164513864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).