[2-[2-chlorophosphanyl-6-(2-diphenylphosphanylphenyl)phenyl]phenyl]-diphenylphosphane

C42H32ClP3 — CID 151969344

IUPAC[2-[2-chlorophosphanyl-6-(2-diphenylphosphanylphenyl)phenyl]phenyl]-diphenylphosphane
SMILESClPc1cccc(-c2ccccc2P(c2ccccc2)c2ccccc2)c1-c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C42H32ClP3/c43-44-39-29-17-28-37(36-26-13-15-30-40(36)45(32-18-5-1-6-19-32)33-20-7-2-8-21-33)42(39)38-27-14-16-31-41(38)46(34-22-9-3-10-23-34)35-24-11-4-12-25-35/h1-31,44H
InChIKeyUAIIYDIINNMCAU-UHFFFAOYSA-N
MW665.09 g/mol
LogP8.99
Rot. Bonds9

About [2-[2-chlorophosphanyl-6-(2-diphenylphosphanylphenyl)phenyl]phenyl]-diphenylphosphane

[2-[2-chlorophosphanyl-6-(2-diphenylphosphanylphenyl)phenyl]phenyl]-diphenylphosphane (PubChem CID 151969344) has the molecular formula C42H32ClP3 and a molecular weight of 665.09 g/mol. Its IUPAC name is [2-[2-chlorophosphanyl-6-(2-diphenylphosphanylphenyl)phenyl]phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-[2-chlorophosphanyl-6-(2-diphenylphosphanylphenyl)phenyl]phenyl]-diphenylphosphane
PubChem CID151969344
Molecular FormulaC42H32ClP3
Molecular Weight665.09 g/mol
Exact Mass664.14
IUPAC Name[2-[2-chlorophosphanyl-6-(2-diphenylphosphanylphenyl)phenyl]phenyl]-diphenylphosphane
SMILESClPc1cccc(-c2ccccc2P(c2ccccc2)c2ccccc2)c1-c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C42H32ClP3/c43-44-39-29-17-28-37(36-26-13-15-30-40(36)45(32-18-5-1-6-19-32)33-20-7-2-8-21-33)42(39)38-27-14-16-31-41(38)46(34-22-9-3-10-23-34)35-24-11-4-12-25-35/h1-31,44H
InChIKeyUAIIYDIINNMCAU-UHFFFAOYSA-N
XLogP8.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.09
LogP ≤ 58.99
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

bis([2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane);hydrate
CID 87203660
[2-(2,3,4,5,6-pentafluorophenyl)phenyl]-diphenylphosphane
CID 158378188
diphenyl-[2-(2,3,4-triphenylnaphthalen-1-yl)phenyl]phosphane
CID 166447914
[2-[2-(2-methylphenyl)phenyl]phenyl]-diphenylphosphane
CID 142046194
[3-chloro-2-(2-chloro-6-diphenylphosphanylphenyl)phenyl]-diphenylphosphane
CID 22415599
(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium
CID 174974517
dichloro-(2-diphenylphosphanylphenyl)phosphane
CID 5108470
[2-(4-fluorophenyl)phenyl]-diphenylphosphane
CID 101050042
[2-[2,6-bis[(E)-1,2-diphenylethenyl]phenyl]phenyl]-diphenylphosphane
CID 164669474
rhodium(3+);nonakis(triphenylphosphane);trichloride
CID 173040367
lithium bis(2-diphenylphosphanylphenyl)azanide
CID 87445331
2-diphenylphosphanylaniline;ethane
CID 177151312

Frequently Asked Questions

What is the IUPAC name of [2-[2-chlorophosphanyl-6-(2-diphenylphosphanylphenyl)phenyl]phenyl]-diphenylphosphane?
The IUPAC name of [2-[2-chlorophosphanyl-6-(2-diphenylphosphanylphenyl)phenyl]phenyl]-diphenylphosphane (CID 151969344) is [2-[2-chlorophosphanyl-6-(2-diphenylphosphanylphenyl)phenyl]phenyl]-diphenylphosphane.
What is the SMILES notation for [2-[2-chlorophosphanyl-6-(2-diphenylphosphanylphenyl)phenyl]phenyl]-diphenylphosphane?
The canonical SMILES for [2-[2-chlorophosphanyl-6-(2-diphenylphosphanylphenyl)phenyl]phenyl]-diphenylphosphane is ClPc1cccc(-c2ccccc2P(c2ccccc2)c2ccccc2)c1-c1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-[2-chlorophosphanyl-6-(2-diphenylphosphanylphenyl)phenyl]phenyl]-diphenylphosphane?
The InChIKey is UAIIYDIINNMCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32ClP3/c43-44-39-29-17-28-37(36-26-13-15-30-40(36)45(32-18-5-1-6-19-32)33-20-7-2-8-21-33)42(39)38-27-14-16-31-41(38)46(34-22-9-3-10-23-34)35-24-11-4-12-25-35/h1-31,44H.
What are the key properties of [2-[2-chlorophosphanyl-6-(2-diphenylphosphanylphenyl)phenyl]phenyl]-diphenylphosphane?
[2-[2-chlorophosphanyl-6-(2-diphenylphosphanylphenyl)phenyl]phenyl]-diphenylphosphane has a molecular weight of 665.09 g/mol, XLogP of 8.99, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-chlorophosphanyl-6-(2-diphenylphosphanylphenyl)phenyl]phenyl]-diphenylphosphane is sourced from PubChem (CID 151969344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).