bis(diphenylphosphanyl)-triphenyl-λ5-phosphane

C42H35P3 — CID 91561422

IUPACbis(diphenylphosphanyl)-triphenyl-λ5-phosphane
SMILESc1ccc(P(c2ccccc2)P(c2ccccc2)(c2ccccc2)(c2ccccc2)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C42H35P3/c1-8-22-36(23-9-1)43(37-24-10-2-11-25-37)45(40-30-16-5-17-31-40,41-32-18-6-19-33-41,42-34-20-7-21-35-42)44(38-26-12-3-13-27-38)39-28-14-4-15-29-39/h1-35H
InChIKeyQWXNHEJLYUNSSN-UHFFFAOYSA-N
MW632.66 g/mol
LogP8.61
Rot. Bonds9

About bis(diphenylphosphanyl)-triphenyl-λ5-phosphane

bis(diphenylphosphanyl)-triphenyl-λ5-phosphane (PubChem CID 91561422) has the molecular formula C42H35P3 and a molecular weight of 632.66 g/mol. Its IUPAC name is bis(diphenylphosphanyl)-triphenyl-λ5-phosphane.

Molecular Properties

Compound Namebis(diphenylphosphanyl)-triphenyl-λ5-phosphane
PubChem CID91561422
Molecular FormulaC42H35P3
Molecular Weight632.66 g/mol
Exact Mass632.20
IUPAC Namebis(diphenylphosphanyl)-triphenyl-λ5-phosphane
SMILESc1ccc(P(c2ccccc2)P(c2ccccc2)(c2ccccc2)(c2ccccc2)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C42H35P3/c1-8-22-36(23-9-1)43(37-24-10-2-11-25-37)45(40-30-16-5-17-31-40,41-32-18-6-19-33-41,42-34-20-7-21-35-42)44(38-26-12-3-13-27-38)39-28-14-4-15-29-39/h1-35H
InChIKeyQWXNHEJLYUNSSN-UHFFFAOYSA-N
XLogP8.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.66
LogP ≤ 58.61
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

triphenylphosphane
CID 139056248
iodocopper;triphenylphosphane
CID 12549340
silane;triphenylphosphane
CID 161037280
tris(triphenylphosphane);trihydrochloride
CID 173282987
tris(triphenylphosphane);hydrobromide
CID 172722268
palladium;bis(triphenylphosphane)
CID 10122028
triphenylphosphane;yttrium
CID 139917776
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
plutonium;triphenylphosphane
CID 161300359
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
CID 87948921
CID 87948921

Frequently Asked Questions

What is the IUPAC name of bis(diphenylphosphanyl)-triphenyl-λ5-phosphane?
The IUPAC name of bis(diphenylphosphanyl)-triphenyl-λ5-phosphane (CID 91561422) is bis(diphenylphosphanyl)-triphenyl-λ5-phosphane.
What is the SMILES notation for bis(diphenylphosphanyl)-triphenyl-λ5-phosphane?
The canonical SMILES for bis(diphenylphosphanyl)-triphenyl-λ5-phosphane is c1ccc(P(c2ccccc2)P(c2ccccc2)(c2ccccc2)(c2ccccc2)P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(diphenylphosphanyl)-triphenyl-λ5-phosphane?
The InChIKey is QWXNHEJLYUNSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H35P3/c1-8-22-36(23-9-1)43(37-24-10-2-11-25-37)45(40-30-16-5-17-31-40,41-32-18-6-19-33-41,42-34-20-7-21-35-42)44(38-26-12-3-13-27-38)39-28-14-4-15-29-39/h1-35H.
What are the key properties of bis(diphenylphosphanyl)-triphenyl-λ5-phosphane?
bis(diphenylphosphanyl)-triphenyl-λ5-phosphane has a molecular weight of 632.66 g/mol, XLogP of 8.61, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(diphenylphosphanyl)-triphenyl-λ5-phosphane is sourced from PubChem (CID 91561422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).