bromo-(3,3-diphenylprop-2-enyl)-triphenyl-lambda5-phosphane

C33H28BrP — CID 13328743

IUPACbromo-(3,3-diphenylprop-2-enyl)-triphenyl-lambda5-phosphane
SMILESBrP(CC=C(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H28BrP/c34-35(30-20-10-3-11-21-30,31-22-12-4-13-23-31,32-24-14-5-15-25-32)27-26-33(28-16-6-1-7-17-28)29-18-8-2-9-19-29/h1-26H,27H2
InChIKeyGNDYQCPQRZBJAX-UHFFFAOYSA-N
MW535.47 g/mol
LogP7.96
Rot. Bonds7

About bromo-(3,3-diphenylprop-2-enyl)-triphenyl-lambda5-phosphane

bromo-(3,3-diphenylprop-2-enyl)-triphenyl-lambda5-phosphane (PubChem CID 13328743) has the molecular formula C33H28BrP and a molecular weight of 535.47 g/mol. Its IUPAC name is bromo-(3,3-diphenylprop-2-enyl)-triphenyl-lambda5-phosphane.

Molecular Properties

Compound Namebromo-(3,3-diphenylprop-2-enyl)-triphenyl-lambda5-phosphane
PubChem CID13328743
Molecular FormulaC33H28BrP
Molecular Weight535.47 g/mol
Exact Mass534.11
IUPAC Namebromo-(3,3-diphenylprop-2-enyl)-triphenyl-lambda5-phosphane
SMILESBrP(CC=C(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H28BrP/c34-35(30-20-10-3-11-21-30,31-22-12-4-13-23-31,32-24-14-5-15-25-32)27-26-33(28-16-6-1-7-17-28)29-18-8-2-9-19-29/h1-26H,27H2
InChIKeyGNDYQCPQRZBJAX-UHFFFAOYSA-N
XLogP7.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.47
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bromo-triphenyl-prop-2-enyl-λ5-phosphane
CID 171779697
(4-bromo-1-phenylbut-1-enyl)benzene
CID 10401774
3,3-diphenylprop-2-ene-1-thiol
CID 87371964
bromo-(9-bromonon-2-enyl)-triphenyl-λ5-phosphane
CID 171472149
bromo-(4-methylpent-3-enyl)-triphenyl-lambda5-phosphane
CID 14336617
(Z)-3-(4-bromophenyl)-3-phenylprop-2-en-1-ol
CID 22270289
N-(3,3-diphenylprop-2-enyl)hydroxylamine
CID 10775571
N-methyl-4,4-diphenylbut-3-enamide
CID 10824648
2-amino-5,5-diphenylpent-4-en-1-ol;hydrochloride
CID 170893190
1-(4-bromo-1-phenylbut-1-enyl)-4-fluorobenzene
CID 57258475
1-phenylhepta-1,6-dienylbenzene
CID 11021254
trimethyl(2,5,5-triphenylpenta-1,4-dienyl)silane
CID 601377

Frequently Asked Questions

What is the IUPAC name of bromo-(3,3-diphenylprop-2-enyl)-triphenyl-lambda5-phosphane?
The IUPAC name of bromo-(3,3-diphenylprop-2-enyl)-triphenyl-lambda5-phosphane (CID 13328743) is bromo-(3,3-diphenylprop-2-enyl)-triphenyl-lambda5-phosphane.
What is the SMILES notation for bromo-(3,3-diphenylprop-2-enyl)-triphenyl-lambda5-phosphane?
The canonical SMILES for bromo-(3,3-diphenylprop-2-enyl)-triphenyl-lambda5-phosphane is BrP(CC=C(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of bromo-(3,3-diphenylprop-2-enyl)-triphenyl-lambda5-phosphane?
The InChIKey is GNDYQCPQRZBJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28BrP/c34-35(30-20-10-3-11-21-30,31-22-12-4-13-23-31,32-24-14-5-15-25-32)27-26-33(28-16-6-1-7-17-28)29-18-8-2-9-19-29/h1-26H,27H2.
What are the key properties of bromo-(3,3-diphenylprop-2-enyl)-triphenyl-lambda5-phosphane?
bromo-(3,3-diphenylprop-2-enyl)-triphenyl-lambda5-phosphane has a molecular weight of 535.47 g/mol, XLogP of 7.96, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-(3,3-diphenylprop-2-enyl)-triphenyl-lambda5-phosphane is sourced from PubChem (CID 13328743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).