tetrakis(dibenzylamino)phosphanium bromide

C56H56BrN4P — CID 18424458

IUPACtetrakis(dibenzylamino)phosphanium bromide
SMILES[Br-].c1ccc(CN(Cc2ccccc2)[P+](N(Cc2ccccc2)Cc2ccccc2)(N(Cc2ccccc2)Cc2ccccc2)N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C56H56N4P.BrH/c1-9-25-49(26-10-1)41-57(42-50-27-11-2-12-28-50)61(58(43-51-29-13-3-14-30-51)44-52-31-15-4-16-32-52,59(45-53-33-17-5-18-34-53)46-54-35-19-6-20-36-54)60(47-55-37-21-7-22-38-55)48-56-39-23-8-24-40-56;/h1-40H,41-48H2;1H/q+1;/p-1
InChIKeyDOSQCLRIISDBCF-UHFFFAOYSA-M
MW895.97 g/mol
LogP10.48
Rot. Bonds20

About tetrakis(dibenzylamino)phosphanium bromide

tetrakis(dibenzylamino)phosphanium bromide (PubChem CID 18424458) has the molecular formula C56H56BrN4P and a molecular weight of 895.97 g/mol. Its IUPAC name is tetrakis(dibenzylamino)phosphanium bromide.

Molecular Properties

Compound Nametetrakis(dibenzylamino)phosphanium bromide
PubChem CID18424458
Molecular FormulaC56H56BrN4P
Molecular Weight895.97 g/mol
Exact Mass894.34
IUPAC Nametetrakis(dibenzylamino)phosphanium bromide
SMILES[Br-].c1ccc(CN(Cc2ccccc2)[P+](N(Cc2ccccc2)Cc2ccccc2)(N(Cc2ccccc2)Cc2ccccc2)N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C56H56N4P.BrH/c1-9-25-49(26-10-1)41-57(42-50-27-11-2-12-28-50)61(58(43-51-29-13-3-14-30-51)44-52-31-15-4-16-32-52,59(45-53-33-17-5-18-34-53)46-54-35-19-6-20-36-54)60(47-55-37-21-7-22-38-55)48-56-39-23-8-24-40-56;/h1-40H,41-48H2;1H/q+1;/p-1
InChIKeyDOSQCLRIISDBCF-UHFFFAOYSA-M
XLogP10.48
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.97
LogP ≤ 510.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-methanidyl-1-phenylmethanamine
CID 20756684
N-benzyl-1-phenyl-N-silylmethanamine
CID 173404902
N,N-dibenzyl-1,1-bis(phosphanyl)methanamine
CID 123812611
benzyl(chloro)carbamic acid
CID 54007228
N,N-dimethyl-1-phenylmethanamine;hydrobromide
CID 71398520
N,N-dimethyl-1-phenylmethanamine;phosphane
CID 174524909
N,N-dimethyl-1-phenylmethanamine;tetrahydrochloride
CID 172854351
N-benzyl-1-phenyl-N-phosphanylmethanamine;dihydrochloride
CID 175096714
N,N-dibenzylaniline
CID 139071697
benzene;N,N-dimethyl-1-phenylmethanamine;ethane
CID 90785154
N,N-dibenzyl-1-fluoropropan-2-amine
CID 70794652
CID 57117048
CID 57117048

Frequently Asked Questions

What is the IUPAC name of tetrakis(dibenzylamino)phosphanium bromide?
The IUPAC name of tetrakis(dibenzylamino)phosphanium bromide (CID 18424458) is tetrakis(dibenzylamino)phosphanium bromide.
What is the SMILES notation for tetrakis(dibenzylamino)phosphanium bromide?
The canonical SMILES for tetrakis(dibenzylamino)phosphanium bromide is [Br-].c1ccc(CN(Cc2ccccc2)[P+](N(Cc2ccccc2)Cc2ccccc2)(N(Cc2ccccc2)Cc2ccccc2)N(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of tetrakis(dibenzylamino)phosphanium bromide?
The InChIKey is DOSQCLRIISDBCF-UHFFFAOYSA-M. The full InChI is InChI=1S/C56H56N4P.BrH/c1-9-25-49(26-10-1)41-57(42-50-27-11-2-12-28-50)61(58(43-51-29-13-3-14-30-51)44-52-31-15-4-16-32-52,59(45-53-33-17-5-18-34-53)46-54-35-19-6-20-36-54)60(47-55-37-21-7-22-38-55)48-56-39-23-8-24-40-56;/h1-40H,41-48H2;1H/q+1;/p-1.
What are the key properties of tetrakis(dibenzylamino)phosphanium bromide?
tetrakis(dibenzylamino)phosphanium bromide has a molecular weight of 895.97 g/mol, XLogP of 10.48, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(dibenzylamino)phosphanium bromide is sourced from PubChem (CID 18424458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).