tris(diphenylphosphanylmethyl)azanium

C39H37NP3+ — CID 132563502

IUPACtris(diphenylphosphanylmethyl)azanium
SMILESc1ccc(P(C[NH+](CP(c2ccccc2)c2ccccc2)CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C39H36NP3/c1-7-19-34(20-8-1)41(35-21-9-2-10-22-35)31-40(32-42(36-23-11-3-12-24-36)37-25-13-4-14-26-37)33-43(38-27-15-5-16-28-38)39-29-17-6-18-30-39/h1-30H,31-33H2/p+1
InChIKeyAMMAVNDHYFURCJ-UHFFFAOYSA-O
MW612.65 g/mol
LogP6.14
Rot. Bonds12

About tris(diphenylphosphanylmethyl)azanium

tris(diphenylphosphanylmethyl)azanium (PubChem CID 132563502) has the molecular formula C39H37NP3+ and a molecular weight of 612.65 g/mol. Its IUPAC name is tris(diphenylphosphanylmethyl)azanium.

Molecular Properties

Compound Nametris(diphenylphosphanylmethyl)azanium
PubChem CID132563502
Molecular FormulaC39H37NP3+
Molecular Weight612.65 g/mol
Exact Mass612.21
IUPAC Nametris(diphenylphosphanylmethyl)azanium
SMILESc1ccc(P(C[NH+](CP(c2ccccc2)c2ccccc2)CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C39H36NP3/c1-7-19-34(20-8-1)41(35-21-9-2-10-22-35)31-40(32-42(36-23-11-3-12-24-36)37-25-13-4-14-26-37)33-43(38-27-15-5-16-28-38)39-29-17-6-18-30-39/h1-30H,31-33H2/p+1
InChIKeyAMMAVNDHYFURCJ-UHFFFAOYSA-O
XLogP6.14
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.65
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
diphenylphosphanylmethyl(diphenyl)phosphane;ruthenium
CID 87761562
diphenylphosphanylmethyl(diphenyl)phosphane;sulfane
CID 18991635
diphenylphosphanylmethanethiol
CID 11230015
bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);bromide
CID 173374421
CID 11365296
CID 11365296
(2,2-dichloro-3-diphenylphosphanylpropyl)-diphenylphosphane;palladium
CID 175711479
(2,2-dichloro-3-diphenylphosphanylpropyl)-diphenylphosphane;nickel(2+)
CID 131716311
chloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 12000429
chromium;ethyl(diphenyl)phosphane
CID 152678584
bromogold;bis(2-diphenylphosphanylethyl(diphenyl)phosphane)
CID 15017629
diphenylphosphanylmethyl(diphenyl)phosphane;rhenium;trichloride;hydroxide
CID 71678326

Frequently Asked Questions

What is the IUPAC name of tris(diphenylphosphanylmethyl)azanium?
The IUPAC name of tris(diphenylphosphanylmethyl)azanium (CID 132563502) is tris(diphenylphosphanylmethyl)azanium.
What is the SMILES notation for tris(diphenylphosphanylmethyl)azanium?
The canonical SMILES for tris(diphenylphosphanylmethyl)azanium is c1ccc(P(C[NH+](CP(c2ccccc2)c2ccccc2)CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of tris(diphenylphosphanylmethyl)azanium?
The InChIKey is AMMAVNDHYFURCJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C39H36NP3/c1-7-19-34(20-8-1)41(35-21-9-2-10-22-35)31-40(32-42(36-23-11-3-12-24-36)37-25-13-4-14-26-37)33-43(38-27-15-5-16-28-38)39-29-17-6-18-30-39/h1-30H,31-33H2/p+1.
What are the key properties of tris(diphenylphosphanylmethyl)azanium?
tris(diphenylphosphanylmethyl)azanium has a molecular weight of 612.65 g/mol, XLogP of 6.14, 12 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(diphenylphosphanylmethyl)azanium is sourced from PubChem (CID 132563502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).