(4-nitrophenyl)imino-phenyl-dipyrrolidin-1-yl-λ5-phosphane

C20H25N4O2P — CID 5036219

IUPAC(4-nitrophenyl)imino-phenyl-dipyrrolidin-1-yl-λ5-phosphane
SMILESO=[N+]([O-])c1ccc(N=P(c2ccccc2)(N2CCCC2)N2CCCC2)cc1
InChIInChI=1S/C20H25N4O2P/c25-24(26)19-12-10-18(11-13-19)21-27(22-14-4-5-15-22,23-16-6-7-17-23)20-8-2-1-3-9-20/h1-3,8-13H,4-7,14-17H2
InChIKeyKYWNNNVHNNDFGL-UHFFFAOYSA-N
MW384.42 g/mol
LogP4.77
Rot. Bonds5

About (4-nitrophenyl)imino-phenyl-dipyrrolidin-1-yl-λ5-phosphane

(4-nitrophenyl)imino-phenyl-dipyrrolidin-1-yl-λ5-phosphane (PubChem CID 5036219) has the molecular formula C20H25N4O2P and a molecular weight of 384.42 g/mol. Its IUPAC name is (4-nitrophenyl)imino-phenyl-dipyrrolidin-1-yl-λ5-phosphane.

Molecular Properties

Compound Name(4-nitrophenyl)imino-phenyl-dipyrrolidin-1-yl-λ5-phosphane
PubChem CID5036219
Molecular FormulaC20H25N4O2P
Molecular Weight384.42 g/mol
Exact Mass384.17
IUPAC Name(4-nitrophenyl)imino-phenyl-dipyrrolidin-1-yl-λ5-phosphane
SMILESO=[N+]([O-])c1ccc(N=P(c2ccccc2)(N2CCCC2)N2CCCC2)cc1
InChIInChI=1S/C20H25N4O2P/c25-24(26)19-12-10-18(11-13-19)21-27(22-14-4-5-15-22,23-16-6-7-17-23)20-8-2-1-3-9-20/h1-3,8-13H,4-7,14-17H2
InChIKeyKYWNNNVHNNDFGL-UHFFFAOYSA-N
XLogP4.77
TPSA61.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-[dimorpholin-4-yl-(4-nitrophenyl)imino-λ5-phosphanyl]-N-methyl-N-phenylaniline
CID 15438483
(2-methylimidazo[1,2-a]pyridin-3-yl)-dimorpholin-4-yl-(4-nitrophenyl)imino-λ5-phosphane
CID 4049794
(4-nitrophenyl)-phenyldiazene
CID 17222
[4-[dimorpholin-4-yl-(4-nitrophenyl)imino-λ5-phosphanyl]-1-methylpyrrol-2-yl]-dimorpholin-4-yl-sulfanylidene-λ5-phosphane
CID 5113611
(4-nitrophenyl)-diphenyl-sulfanylidene-λ5-phosphane
CID 71366671
(1,2-dimethylindol-3-yl)-(4-nitrophenyl)imino-diphenyl-λ5-phosphane
CID 4224465
[4-(azocan-1-yl)phenyl]-(4-nitrophenyl)diazene
CID 5152218
cyclohexane;ethene;nitrobenzene
CID 174971101
1-(4-nitrophenyl)-N-pyrrolidin-1-ylmethanimine
CID 71401110
azane;nitrobenzene
CID 23197461
azanium nitrobenzene
CID 22989049
arsane;nitrobenzene
CID 174282180

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl)imino-phenyl-dipyrrolidin-1-yl-λ5-phosphane?
The IUPAC name of (4-nitrophenyl)imino-phenyl-dipyrrolidin-1-yl-λ5-phosphane (CID 5036219) is (4-nitrophenyl)imino-phenyl-dipyrrolidin-1-yl-λ5-phosphane.
What is the SMILES notation for (4-nitrophenyl)imino-phenyl-dipyrrolidin-1-yl-λ5-phosphane?
The canonical SMILES for (4-nitrophenyl)imino-phenyl-dipyrrolidin-1-yl-λ5-phosphane is O=[N+]([O-])c1ccc(N=P(c2ccccc2)(N2CCCC2)N2CCCC2)cc1.
What is the InChIKey of (4-nitrophenyl)imino-phenyl-dipyrrolidin-1-yl-λ5-phosphane?
The InChIKey is KYWNNNVHNNDFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N4O2P/c25-24(26)19-12-10-18(11-13-19)21-27(22-14-4-5-15-22,23-16-6-7-17-23)20-8-2-1-3-9-20/h1-3,8-13H,4-7,14-17H2.
What are the key properties of (4-nitrophenyl)imino-phenyl-dipyrrolidin-1-yl-λ5-phosphane?
(4-nitrophenyl)imino-phenyl-dipyrrolidin-1-yl-λ5-phosphane has a molecular weight of 384.42 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl)imino-phenyl-dipyrrolidin-1-yl-λ5-phosphane is sourced from PubChem (CID 5036219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).