[2,6-di(propan-2-yl)phenyl]imino-[6-[[2,6-di(propan-2-yl)phenyl]imino-diphenyl-lambda5-phosphanyl]-2-pyridinyl]-diphenyl-lambda5-phosphane

C53H57N3P2 — CID 15899198

IUPAC[2,6-di(propan-2-yl)phenyl]imino-[6-[[2,6-di(propan-2-yl)phenyl]imino-diphenyl-lambda5-phosphanyl]-2-pyridinyl]-diphenyl-lambda5-phosphane
SMILESCC(C)c1cccc(C(C)C)c1N=P(c1ccccc1)(c1ccccc1)c1cccc(P(=Nc2c(C(C)C)cccc2C(C)C)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C53H57N3P2/c1-38(2)46-32-21-33-47(39(3)4)52(46)55-57(42-24-13-9-14-25-42,43-26-15-10-16-27-43)50-36-23-37-51(54-50)58(44-28-17-11-18-29-44,45-30-19-12-20-31-45)56-53-48(40(5)6)34-22-35-49(53)41(7)8/h9-41H,1-8H3
InChIKeyCBYKCIBKSUMNFS-UHFFFAOYSA-N
MW798.01 g/mol
LogP13.19
Rot. Bonds12

About [2,6-di(propan-2-yl)phenyl]imino-[6-[[2,6-di(propan-2-yl)phenyl]imino-diphenyl-lambda5-phosphanyl]-2-pyridinyl]-diphenyl-lambda5-phosphane

[2,6-di(propan-2-yl)phenyl]imino-[6-[[2,6-di(propan-2-yl)phenyl]imino-diphenyl-lambda5-phosphanyl]-2-pyridinyl]-diphenyl-lambda5-phosphane (PubChem CID 15899198) has the molecular formula C53H57N3P2 and a molecular weight of 798.01 g/mol. Its IUPAC name is [2,6-di(propan-2-yl)phenyl]imino-[6-[[2,6-di(propan-2-yl)phenyl]imino-diphenyl-lambda5-phosphanyl]-2-pyridinyl]-diphenyl-lambda5-phosphane.

Molecular Properties

Compound Name[2,6-di(propan-2-yl)phenyl]imino-[6-[[2,6-di(propan-2-yl)phenyl]imino-diphenyl-lambda5-phosphanyl]-2-pyridinyl]-diphenyl-lambda5-phosphane
PubChem CID15899198
Molecular FormulaC53H57N3P2
Molecular Weight798.01 g/mol
Exact Mass797.40
IUPAC Name[2,6-di(propan-2-yl)phenyl]imino-[6-[[2,6-di(propan-2-yl)phenyl]imino-diphenyl-lambda5-phosphanyl]-2-pyridinyl]-diphenyl-lambda5-phosphane
SMILESCC(C)c1cccc(C(C)C)c1N=P(c1ccccc1)(c1ccccc1)c1cccc(P(=Nc2c(C(C)C)cccc2C(C)C)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C53H57N3P2/c1-38(2)46-32-21-33-47(39(3)4)52(46)55-57(42-24-13-9-14-25-42,43-26-15-10-16-27-43)50-36-23-37-51(54-50)58(44-28-17-11-18-29-44,45-30-19-12-20-31-45)56-53-48(40(5)6)34-22-35-49(53)41(7)8/h9-41H,1-8H3
InChIKeyCBYKCIBKSUMNFS-UHFFFAOYSA-N
XLogP13.19
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.01
LogP ≤ 513.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2,6-di(propan-2-yl)phenyl]imino-(3H-inden-1-yl)-diphenyl-λ5-phosphane
CID 139104654
[2,6-di(propan-2-yl)phenyl]imino-[6-[[2,6-di(propan-2-yl)phenyl]imino-methyl-phenyl-λ5-phosphanyl]dibenzofuran-4-yl]-methyl-phenyl-λ5-phosphane
CID 139157975
[2,6-di(propan-2-yl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane
CID 139122324
carbanide;cyclopentyl-[2,6-di(propan-2-yl)phenyl]imino-diphenyl-λ5-phosphane;tribromozirconium
CID 58140353
N-[1-[[2,6-di(propan-2-yl)phenyl]imino-diphenyl-λ5-phosphanyl]prop-1-en-2-yl]-2,6-di(propan-2-yl)aniline
CID 5242446
[2,6-di(propan-2-yl)phenyl]imino-(1H-inden-1-yl)-diphenyl-λ5-phosphane
CID 102453146
[2,6-di(propan-2-yl)phenyl]iminotantalum
CID 10864957
carbanide;[2,6-di(propan-2-yl)phenyl]imino-diphenyl-(4,4,6,6-tetramethyl-1,2,3,3a,5,6a-hexahydropentalen-2-yl)-λ5-phosphane;tris(methanidyl(trimethyl)silane);zirconium(4+)
CID 58140367
[2,6-di(propan-2-yl)phenyl]iminotitanium(2+)
CID 11564443
N-diphenylphosphoryl-2,6-di(propan-2-yl)aniline
CID 102170611
N-[2,6-di(propan-2-yl)phenyl]benzenecarboximidoyl chloride
CID 22596623
bis[[2,6-di(propan-2-yl)anilino]-diphenyl-λ5-phosphanylidene]azanium
CID 139185972

Frequently Asked Questions

What is the IUPAC name of [2,6-di(propan-2-yl)phenyl]imino-[6-[[2,6-di(propan-2-yl)phenyl]imino-diphenyl-lambda5-phosphanyl]-2-pyridinyl]-diphenyl-lambda5-phosphane?
The IUPAC name of [2,6-di(propan-2-yl)phenyl]imino-[6-[[2,6-di(propan-2-yl)phenyl]imino-diphenyl-lambda5-phosphanyl]-2-pyridinyl]-diphenyl-lambda5-phosphane (CID 15899198) is [2,6-di(propan-2-yl)phenyl]imino-[6-[[2,6-di(propan-2-yl)phenyl]imino-diphenyl-lambda5-phosphanyl]-2-pyridinyl]-diphenyl-lambda5-phosphane.
What is the SMILES notation for [2,6-di(propan-2-yl)phenyl]imino-[6-[[2,6-di(propan-2-yl)phenyl]imino-diphenyl-lambda5-phosphanyl]-2-pyridinyl]-diphenyl-lambda5-phosphane?
The canonical SMILES for [2,6-di(propan-2-yl)phenyl]imino-[6-[[2,6-di(propan-2-yl)phenyl]imino-diphenyl-lambda5-phosphanyl]-2-pyridinyl]-diphenyl-lambda5-phosphane is CC(C)c1cccc(C(C)C)c1N=P(c1ccccc1)(c1ccccc1)c1cccc(P(=Nc2c(C(C)C)cccc2C(C)C)(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of [2,6-di(propan-2-yl)phenyl]imino-[6-[[2,6-di(propan-2-yl)phenyl]imino-diphenyl-lambda5-phosphanyl]-2-pyridinyl]-diphenyl-lambda5-phosphane?
The InChIKey is CBYKCIBKSUMNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H57N3P2/c1-38(2)46-32-21-33-47(39(3)4)52(46)55-57(42-24-13-9-14-25-42,43-26-15-10-16-27-43)50-36-23-37-51(54-50)58(44-28-17-11-18-29-44,45-30-19-12-20-31-45)56-53-48(40(5)6)34-22-35-49(53)41(7)8/h9-41H,1-8H3.
What are the key properties of [2,6-di(propan-2-yl)phenyl]imino-[6-[[2,6-di(propan-2-yl)phenyl]imino-diphenyl-lambda5-phosphanyl]-2-pyridinyl]-diphenyl-lambda5-phosphane?
[2,6-di(propan-2-yl)phenyl]imino-[6-[[2,6-di(propan-2-yl)phenyl]imino-diphenyl-lambda5-phosphanyl]-2-pyridinyl]-diphenyl-lambda5-phosphane has a molecular weight of 798.01 g/mol, XLogP of 13.19, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-di(propan-2-yl)phenyl]imino-[6-[[2,6-di(propan-2-yl)phenyl]imino-diphenyl-lambda5-phosphanyl]-2-pyridinyl]-diphenyl-lambda5-phosphane is sourced from PubChem (CID 15899198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).