diphenyl-[2-[6-[5-[2-[phenyl(phosphanyl)phosphanyl]phenyl]-1H-pyrrol-2-yl]-2-pyridinyl]phenyl]phosphane

C39H31N2P3 — CID 129046831

IUPACdiphenyl-[2-[6-[5-[2-[phenyl(phosphanyl)phosphanyl]phenyl]-1H-pyrrol-2-yl]-2-pyridinyl]phenyl]phosphane
SMILESPP(c1ccccc1)c1ccccc1-c1ccc(-c2cccc(-c3ccccc3P(c3ccccc3)c3ccccc3)n2)[nH]1
InChIInChI=1S/C39H31N2P3/c42-44(31-19-8-3-9-20-31)39-26-13-11-22-33(39)35-27-28-37(41-35)36-24-14-23-34(40-36)32-21-10-12-25-38(32)43(29-15-4-1-5-16-29)30-17-6-2-7-18-30/h1-28,41H,42H2
InChIKeyKWKQQXGKXFKZCJ-UHFFFAOYSA-N
MW620.61 g/mol
LogP8.39
Rot. Bonds8

About diphenyl-[2-[6-[5-[2-[phenyl(phosphanyl)phosphanyl]phenyl]-1H-pyrrol-2-yl]-2-pyridinyl]phenyl]phosphane

diphenyl-[2-[6-[5-[2-[phenyl(phosphanyl)phosphanyl]phenyl]-1H-pyrrol-2-yl]-2-pyridinyl]phenyl]phosphane (PubChem CID 129046831) has the molecular formula C39H31N2P3 and a molecular weight of 620.61 g/mol. Its IUPAC name is diphenyl-[2-[6-[5-[2-[phenyl(phosphanyl)phosphanyl]phenyl]-1H-pyrrol-2-yl]-2-pyridinyl]phenyl]phosphane.

Molecular Properties

Compound Namediphenyl-[2-[6-[5-[2-[phenyl(phosphanyl)phosphanyl]phenyl]-1H-pyrrol-2-yl]-2-pyridinyl]phenyl]phosphane
PubChem CID129046831
Molecular FormulaC39H31N2P3
Molecular Weight620.61 g/mol
Exact Mass620.17
IUPAC Namediphenyl-[2-[6-[5-[2-[phenyl(phosphanyl)phosphanyl]phenyl]-1H-pyrrol-2-yl]-2-pyridinyl]phenyl]phosphane
SMILESPP(c1ccccc1)c1ccccc1-c1ccc(-c2cccc(-c3ccccc3P(c3ccccc3)c3ccccc3)n2)[nH]1
InChIInChI=1S/C39H31N2P3/c42-44(31-19-8-3-9-20-31)39-26-13-11-22-33(39)35-27-28-37(41-35)36-24-14-23-34(40-36)32-21-10-12-25-38(32)43(29-15-4-1-5-16-29)30-17-6-2-7-18-30/h1-28,41H,42H2
InChIKeyKWKQQXGKXFKZCJ-UHFFFAOYSA-N
XLogP8.39
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.61
LogP ≤ 58.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-[9-(2-diphenylphosphanylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]-diphenylphosphane
CID 141480420
[2-(2,3,4,5,6-pentafluorophenyl)phenyl]-diphenylphosphane
CID 158378188
diphenyl-[5-(3-pyridin-2-ylnaphthalen-2-yl)-1H-pyrrol-2-yl]phosphane
CID 129046843
[2-(4-fluorophenyl)phenyl]-diphenylphosphane
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(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium
CID 174974517
diphenyl-[2-[(1R,8R,9R)-8,10,10-trimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]phenyl]phosphane
CID 58626968
diphenyl-[2-(2,3,4-triphenylnaphthalen-1-yl)phenyl]phosphane
CID 166447914
CID 162326327
CID 162326327
[2-[2-chlorophosphanyl-6-(2-diphenylphosphanylphenyl)phenyl]phenyl]-diphenylphosphane
CID 151969344
[2-[2-(2-methylphenyl)phenyl]phenyl]-diphenylphosphane
CID 142046194
[3-chloro-2-(2-chloro-6-diphenylphosphanylphenyl)phenyl]-diphenylphosphane
CID 22415599

Frequently Asked Questions

What is the IUPAC name of diphenyl-[2-[6-[5-[2-[phenyl(phosphanyl)phosphanyl]phenyl]-1H-pyrrol-2-yl]-2-pyridinyl]phenyl]phosphane?
The IUPAC name of diphenyl-[2-[6-[5-[2-[phenyl(phosphanyl)phosphanyl]phenyl]-1H-pyrrol-2-yl]-2-pyridinyl]phenyl]phosphane (CID 129046831) is diphenyl-[2-[6-[5-[2-[phenyl(phosphanyl)phosphanyl]phenyl]-1H-pyrrol-2-yl]-2-pyridinyl]phenyl]phosphane.
What is the SMILES notation for diphenyl-[2-[6-[5-[2-[phenyl(phosphanyl)phosphanyl]phenyl]-1H-pyrrol-2-yl]-2-pyridinyl]phenyl]phosphane?
The canonical SMILES for diphenyl-[2-[6-[5-[2-[phenyl(phosphanyl)phosphanyl]phenyl]-1H-pyrrol-2-yl]-2-pyridinyl]phenyl]phosphane is PP(c1ccccc1)c1ccccc1-c1ccc(-c2cccc(-c3ccccc3P(c3ccccc3)c3ccccc3)n2)[nH]1.
What is the InChIKey of diphenyl-[2-[6-[5-[2-[phenyl(phosphanyl)phosphanyl]phenyl]-1H-pyrrol-2-yl]-2-pyridinyl]phenyl]phosphane?
The InChIKey is KWKQQXGKXFKZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H31N2P3/c42-44(31-19-8-3-9-20-31)39-26-13-11-22-33(39)35-27-28-37(41-35)36-24-14-23-34(40-36)32-21-10-12-25-38(32)43(29-15-4-1-5-16-29)30-17-6-2-7-18-30/h1-28,41H,42H2.
What are the key properties of diphenyl-[2-[6-[5-[2-[phenyl(phosphanyl)phosphanyl]phenyl]-1H-pyrrol-2-yl]-2-pyridinyl]phenyl]phosphane?
diphenyl-[2-[6-[5-[2-[phenyl(phosphanyl)phosphanyl]phenyl]-1H-pyrrol-2-yl]-2-pyridinyl]phenyl]phosphane has a molecular weight of 620.61 g/mol, XLogP of 8.39, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[2-[6-[5-[2-[phenyl(phosphanyl)phosphanyl]phenyl]-1H-pyrrol-2-yl]-2-pyridinyl]phenyl]phosphane is sourced from PubChem (CID 129046831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).