N'-(2,6-dimethylphenyl)-3-diphenylphosphanylbenzenecarboximidamide

C27H25N2P — CID 142766272

IUPACN'-(2,6-dimethylphenyl)-3-diphenylphosphanylbenzenecarboximidamide
SMILESCc1cccc(C)c1/N=C(\N)c1cccc(P(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C27H25N2P/c1-20-11-9-12-21(2)26(20)29-27(28)22-13-10-18-25(19-22)30(23-14-5-3-6-15-23)24-16-7-4-8-17-24/h3-19H,1-2H3,(H2,28,29)
InChIKeyUTPCOBQNEXGZRF-UHFFFAOYSA-N
MW408.49 g/mol
LogP5.10
Rot. Bonds5

About N'-(2,6-dimethylphenyl)-3-diphenylphosphanylbenzenecarboximidamide

N'-(2,6-dimethylphenyl)-3-diphenylphosphanylbenzenecarboximidamide (PubChem CID 142766272) has the molecular formula C27H25N2P and a molecular weight of 408.49 g/mol. Its IUPAC name is N'-(2,6-dimethylphenyl)-3-diphenylphosphanylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-(2,6-dimethylphenyl)-3-diphenylphosphanylbenzenecarboximidamide
PubChem CID142766272
Molecular FormulaC27H25N2P
Molecular Weight408.49 g/mol
Exact Mass408.18
IUPAC NameN'-(2,6-dimethylphenyl)-3-diphenylphosphanylbenzenecarboximidamide
SMILESCc1cccc(C)c1/N=C(\N)c1cccc(P(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C27H25N2P/c1-20-11-9-12-21(2)26(20)29-27(28)22-13-10-18-25(19-22)30(23-14-5-3-6-15-23)24-16-7-4-8-17-24/h3-19H,1-2H3,(H2,28,29)
InChIKeyUTPCOBQNEXGZRF-UHFFFAOYSA-N
XLogP5.10
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.49
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-dimethylphenyl)guanidine chloride
CID 20543534
N'-(2-methylphenyl)naphthalene-2-carboximidamide
CID 90076773
N'-[3-[[amino(phenyl)methylidene]amino]phenyl]benzenecarboximidamide
CID 132564984
thiourea;triphenylphosphane
CID 21285879
trichlororhodium;triphenylphosphane;1,2-xylene
CID 174728734
N-ditert-butylphosphanyl-N'-(2,6-dimethylphenyl)benzenecarboximidamide
CID 102227374
[2-(2-diphenylphosphanyl-6-methylphenyl)-3-methylphenyl]-diphenylphosphane;ruthenium(2+);dibenzoate
CID 21296878
ethane;triphenylphosphane
CID 90942156
rhodium(3+);nonakis(triphenylphosphane);trichloride
CID 173040367
methane;palladium;triphenylphosphane
CID 90407786
triphenylphosphane
CID 139056248
1-(diaminomethylideneamino)-2-(2,6-dimethylphenyl)guanidine
CID 175773289

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dimethylphenyl)-3-diphenylphosphanylbenzenecarboximidamide?
The IUPAC name of N'-(2,6-dimethylphenyl)-3-diphenylphosphanylbenzenecarboximidamide (CID 142766272) is N'-(2,6-dimethylphenyl)-3-diphenylphosphanylbenzenecarboximidamide.
What is the SMILES notation for N'-(2,6-dimethylphenyl)-3-diphenylphosphanylbenzenecarboximidamide?
The canonical SMILES for N'-(2,6-dimethylphenyl)-3-diphenylphosphanylbenzenecarboximidamide is Cc1cccc(C)c1/N=C(\N)c1cccc(P(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N'-(2,6-dimethylphenyl)-3-diphenylphosphanylbenzenecarboximidamide?
The InChIKey is UTPCOBQNEXGZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N2P/c1-20-11-9-12-21(2)26(20)29-27(28)22-13-10-18-25(19-22)30(23-14-5-3-6-15-23)24-16-7-4-8-17-24/h3-19H,1-2H3,(H2,28,29).
What are the key properties of N'-(2,6-dimethylphenyl)-3-diphenylphosphanylbenzenecarboximidamide?
N'-(2,6-dimethylphenyl)-3-diphenylphosphanylbenzenecarboximidamide has a molecular weight of 408.49 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dimethylphenyl)-3-diphenylphosphanylbenzenecarboximidamide is sourced from PubChem (CID 142766272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).