bromo-triphenyl-(3-pyrrolidin-1-ylpropyl)-lambda5-phosphane

C25H29BrNP — CID 14127221

IUPACbromo-triphenyl-(3-pyrrolidin-1-ylpropyl)-lambda5-phosphane
SMILESBrP(CCCN1CCCC1)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29BrNP/c26-28(23-13-4-1-5-14-23,24-15-6-2-7-16-24,25-17-8-3-9-18-25)22-12-21-27-19-10-11-20-27/h1-9,13-18H,10-12,19-22H2
InChIKeyZTMJFSSXPINIRI-UHFFFAOYSA-N
MW454.39 g/mol
LogP5.31
Rot. Bonds7

About bromo-triphenyl-(3-pyrrolidin-1-ylpropyl)-lambda5-phosphane

bromo-triphenyl-(3-pyrrolidin-1-ylpropyl)-lambda5-phosphane (PubChem CID 14127221) has the molecular formula C25H29BrNP and a molecular weight of 454.39 g/mol. Its IUPAC name is bromo-triphenyl-(3-pyrrolidin-1-ylpropyl)-lambda5-phosphane.

Molecular Properties

Compound Namebromo-triphenyl-(3-pyrrolidin-1-ylpropyl)-lambda5-phosphane
PubChem CID14127221
Molecular FormulaC25H29BrNP
Molecular Weight454.39 g/mol
Exact Mass453.12
IUPAC Namebromo-triphenyl-(3-pyrrolidin-1-ylpropyl)-lambda5-phosphane
SMILESBrP(CCCN1CCCC1)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29BrNP/c26-28(23-13-4-1-5-14-23,24-15-6-2-7-16-24,25-17-8-3-9-18-25)22-12-21-27-19-10-11-20-27/h1-9,13-18H,10-12,19-22H2
InChIKeyZTMJFSSXPINIRI-UHFFFAOYSA-N
XLogP5.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.39
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

10-[bromo(triphenyl)-λ5-phosphanyl]decan-1-amine;hydrochloride
CID 171509465
1-(6,6-diphenylhexyl)piperidine
CID 161365973
2,2-diphenyl-5-piperidin-1-ylpentan-1-amine
CID 22767303
1-(11-phenylundecyl)piperidine;hydrochloride
CID 173446957
1-(3-phenylsulfanylpropyl)piperidine;hydrochloride
CID 3038686
1-(6-phenylsulfanylhexyl)pyrrolidine
CID 11857934
N-(4-piperidin-1-ylbutyl)aniline
CID 67607520
1-(3,3-diphenylpropyl)azepane;hydrochloride
CID 3084164
N-(6-piperidin-1-ylhexyl)aniline
CID 70509590
3-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine
CID 28658239
bromo-(cyclopentylmethyl)-triphenyl-λ5-phosphane
CID 118283191
1-[3-(2-bromophenoxy)propyl]azepane
CID 2195329

Frequently Asked Questions

What is the IUPAC name of bromo-triphenyl-(3-pyrrolidin-1-ylpropyl)-lambda5-phosphane?
The IUPAC name of bromo-triphenyl-(3-pyrrolidin-1-ylpropyl)-lambda5-phosphane (CID 14127221) is bromo-triphenyl-(3-pyrrolidin-1-ylpropyl)-lambda5-phosphane.
What is the SMILES notation for bromo-triphenyl-(3-pyrrolidin-1-ylpropyl)-lambda5-phosphane?
The canonical SMILES for bromo-triphenyl-(3-pyrrolidin-1-ylpropyl)-lambda5-phosphane is BrP(CCCN1CCCC1)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of bromo-triphenyl-(3-pyrrolidin-1-ylpropyl)-lambda5-phosphane?
The InChIKey is ZTMJFSSXPINIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29BrNP/c26-28(23-13-4-1-5-14-23,24-15-6-2-7-16-24,25-17-8-3-9-18-25)22-12-21-27-19-10-11-20-27/h1-9,13-18H,10-12,19-22H2.
What are the key properties of bromo-triphenyl-(3-pyrrolidin-1-ylpropyl)-lambda5-phosphane?
bromo-triphenyl-(3-pyrrolidin-1-ylpropyl)-lambda5-phosphane has a molecular weight of 454.39 g/mol, XLogP of 5.31, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-triphenyl-(3-pyrrolidin-1-ylpropyl)-lambda5-phosphane is sourced from PubChem (CID 14127221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).