bromo-triphenyl-prop-2-enyl-λ5-phosphane

C42H40Br2P2 — CID 171779697

IUPACbromo-triphenyl-prop-2-enyl-λ5-phosphane
SMILESC=CCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.C=CCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C21H20BrP/c2*1-2-18-23(22,19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h2*2-17H,1,18H2
InChIKeyDTAWVFBJYCJOAN-UHFFFAOYSA-N
MW766.54 g/mol
LogP10.02
Rot. Bonds10

About bromo-triphenyl-prop-2-enyl-λ5-phosphane

bromo-triphenyl-prop-2-enyl-λ5-phosphane (PubChem CID 171779697) has the molecular formula C42H40Br2P2 and a molecular weight of 766.54 g/mol. Its IUPAC name is bromo-triphenyl-prop-2-enyl-λ5-phosphane.

Molecular Properties

Compound Namebromo-triphenyl-prop-2-enyl-λ5-phosphane
PubChem CID171779697
Molecular FormulaC42H40Br2P2
Molecular Weight766.54 g/mol
Exact Mass764.10
IUPAC Namebromo-triphenyl-prop-2-enyl-λ5-phosphane
SMILESC=CCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.C=CCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C21H20BrP/c2*1-2-18-23(22,19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h2*2-17H,1,18H2
InChIKeyDTAWVFBJYCJOAN-UHFFFAOYSA-N
XLogP10.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.54
LogP ≤ 510.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bromo-(3,3-diphenylprop-2-enyl)-triphenyl-lambda5-phosphane
CID 13328743
bromo-(7-chlorohept-2-enyl)-triphenyl-λ5-phosphane
CID 171472329
bromo-(9-bromonon-2-enyl)-triphenyl-λ5-phosphane
CID 171472149
bromo-(11-iodoundec-2-enyl)-triphenyl-λ5-phosphane
CID 171472229
diphenyl(prop-2-enyl)alumane
CID 16702068
bromo-triphenyl-(1-trimethylsilylbut-3-enyl)-λ5-phosphane
CID 134888993
3-[bromo(triphenyl)-λ5-phosphanyl]propan-1-amine
CID 140662780
bromo-[(E)-hex-3-enyl]-triphenyl-lambda5-phosphane
CID 13026386
bromo-(4-methylpent-3-enyl)-triphenyl-lambda5-phosphane
CID 14336617
bromo-(cyclopentylmethyl)-triphenyl-λ5-phosphane
CID 118283191
bromo-decyl-triphenyl-lambda5-phosphane
CID 13370783
bromo-(2,2-dimethoxyethyl)-triphenyl-lambda5-phosphane
CID 13141489

Frequently Asked Questions

What is the IUPAC name of bromo-triphenyl-prop-2-enyl-λ5-phosphane?
The IUPAC name of bromo-triphenyl-prop-2-enyl-λ5-phosphane (CID 171779697) is bromo-triphenyl-prop-2-enyl-λ5-phosphane.
What is the SMILES notation for bromo-triphenyl-prop-2-enyl-λ5-phosphane?
The canonical SMILES for bromo-triphenyl-prop-2-enyl-λ5-phosphane is C=CCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.C=CCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of bromo-triphenyl-prop-2-enyl-λ5-phosphane?
The InChIKey is DTAWVFBJYCJOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H20BrP/c2*1-2-18-23(22,19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h2*2-17H,1,18H2.
What are the key properties of bromo-triphenyl-prop-2-enyl-λ5-phosphane?
bromo-triphenyl-prop-2-enyl-λ5-phosphane has a molecular weight of 766.54 g/mol, XLogP of 10.02, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-triphenyl-prop-2-enyl-λ5-phosphane is sourced from PubChem (CID 171779697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).