bis(3,3-diphenyl-3-phosphanylpropyl)-phenylphosphane

C36H37P3 — CID 90110141

IUPACbis(3,3-diphenyl-3-phosphanylpropyl)-phenylphosphane
SMILESPC(CCP(CCC(P)(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H37P3/c37-35(30-16-6-1-7-17-30,31-18-8-2-9-19-31)26-28-39(34-24-14-5-15-25-34)29-27-36(38,32-20-10-3-11-21-32)33-22-12-4-13-23-33/h1-25H,26-29,37-38H2
InChIKeyIPOZNCNSFMXMQB-UHFFFAOYSA-N
MW562.61 g/mol
LogP9.21
Rot. Bonds11

About bis(3,3-diphenyl-3-phosphanylpropyl)-phenylphosphane

bis(3,3-diphenyl-3-phosphanylpropyl)-phenylphosphane (PubChem CID 90110141) has the molecular formula C36H37P3 and a molecular weight of 562.61 g/mol. Its IUPAC name is bis(3,3-diphenyl-3-phosphanylpropyl)-phenylphosphane.

Molecular Properties

Compound Namebis(3,3-diphenyl-3-phosphanylpropyl)-phenylphosphane
PubChem CID90110141
Molecular FormulaC36H37P3
Molecular Weight562.61 g/mol
Exact Mass562.21
IUPAC Namebis(3,3-diphenyl-3-phosphanylpropyl)-phenylphosphane
SMILESPC(CCP(CCC(P)(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H37P3/c37-35(30-16-6-1-7-17-30,31-18-8-2-9-19-31)26-28-39(34-24-14-5-15-25-34)29-27-36(38,32-20-10-3-11-21-32)33-22-12-4-13-23-33/h1-25H,26-29,37-38H2
InChIKeyIPOZNCNSFMXMQB-UHFFFAOYSA-N
XLogP9.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.61
LogP ≤ 59.21
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

(3,3-diphenyl-3-phosphanylpropyl)-diphenylphosphane;methanesulfonic acid
CID 173418622
phenyl-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphane
CID 10855350
2-bromoethyl-[2-[2-bromoethyl(phenyl)phosphanyl]ethyl]-phenylphosphane
CID 102487174
ethyl-[2-[ethyl(phenyl)phosphanyl]ethyl]-phenylphosphane
CID 22760091
dipentyl(phenyl)phosphane
CID 3085487
2-[2-(dimethylamino)ethyl-phenylphosphanyl]-N,N-dimethylethanamine
CID 70119668
3-[3-[3-hydroxypropyl(phenyl)phosphanyl]propyl-phenylphosphanyl]propan-1-ol
CID 14871357
[diphenyl(phosphanyl)methyl]phosphane
CID 23002363
bis[3-[methyl(phenyl)phosphanyl]propyl]-phenylphosphane
CID 58654516
dichloronickel;1,1-diphenylpropylphosphane
CID 174835679
tritylphosphane;hydrate
CID 173373221
bis[2-(4-bromophenyl)ethyl]-phenylphosphane
CID 132525002

Frequently Asked Questions

What is the IUPAC name of bis(3,3-diphenyl-3-phosphanylpropyl)-phenylphosphane?
The IUPAC name of bis(3,3-diphenyl-3-phosphanylpropyl)-phenylphosphane (CID 90110141) is bis(3,3-diphenyl-3-phosphanylpropyl)-phenylphosphane.
What is the SMILES notation for bis(3,3-diphenyl-3-phosphanylpropyl)-phenylphosphane?
The canonical SMILES for bis(3,3-diphenyl-3-phosphanylpropyl)-phenylphosphane is PC(CCP(CCC(P)(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of bis(3,3-diphenyl-3-phosphanylpropyl)-phenylphosphane?
The InChIKey is IPOZNCNSFMXMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37P3/c37-35(30-16-6-1-7-17-30,31-18-8-2-9-19-31)26-28-39(34-24-14-5-15-25-34)29-27-36(38,32-20-10-3-11-21-32)33-22-12-4-13-23-33/h1-25H,26-29,37-38H2.
What are the key properties of bis(3,3-diphenyl-3-phosphanylpropyl)-phenylphosphane?
bis(3,3-diphenyl-3-phosphanylpropyl)-phenylphosphane has a molecular weight of 562.61 g/mol, XLogP of 9.21, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,3-diphenyl-3-phosphanylpropyl)-phenylphosphane is sourced from PubChem (CID 90110141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).