2-[2-(diphenyl-λ5-phosphanylidyne)-1-phenylethylidene]propanedinitrile

C23H15N2P — CID 174368817

IUPAC2-[2-(diphenyl-λ5-phosphanylidyne)-1-phenylethylidene]propanedinitrile
SMILESN#CC(C#N)=C(C#P(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H15N2P/c24-16-20(17-25)23(19-10-4-1-5-11-19)18-26(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15H
InChIKeyHGJQGIYGBQVTOT-UHFFFAOYSA-N
MW350.36 g/mol
LogP4.58
Rot. Bonds1

About 2-[2-(diphenyl-λ5-phosphanylidyne)-1-phenylethylidene]propanedinitrile

2-[2-(diphenyl-λ5-phosphanylidyne)-1-phenylethylidene]propanedinitrile (PubChem CID 174368817) has the molecular formula C23H15N2P and a molecular weight of 350.36 g/mol. Its IUPAC name is 2-[2-(diphenyl-λ5-phosphanylidyne)-1-phenylethylidene]propanedinitrile.

Molecular Properties

Compound Name2-[2-(diphenyl-λ5-phosphanylidyne)-1-phenylethylidene]propanedinitrile
PubChem CID174368817
Molecular FormulaC23H15N2P
Molecular Weight350.36 g/mol
Exact Mass350.10
IUPAC Name2-[2-(diphenyl-λ5-phosphanylidyne)-1-phenylethylidene]propanedinitrile
SMILESN#CC(C#N)=C(C#P(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H15N2P/c24-16-20(17-25)23(19-10-4-1-5-11-19)18-26(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15H
InChIKeyHGJQGIYGBQVTOT-UHFFFAOYSA-N
XLogP4.58
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(E)-2-(4-methylphenyl)-3-phenylbut-2-enedinitrile
CID 14025140
(E)-3-chloro-3-iodo-2-phenylprop-2-enenitrile
CID 134893810
3-anilino-2-phenylbut-2-enenitrile
CID 134837967
2-(1,2-diphenylprop-2-enylidene)propanedinitrile
CID 100995628
2-tert-butyl-3-phenylbut-2-enedinitrile
CID 71319923
(Z)-3-chloro-2,3-diphenylprop-2-enenitrile
CID 21395317
azanylidyneazanium;2-phenylethene-1,1,2-tricarbonitrile;trifluoromethanesulfonate
CID 19778983
(E)-2-phenyl-3-(propylamino)but-2-enenitrile
CID 56652832
2-(1-diphenylphosphanylpropylidene)propanedinitrile
CID 12557470
(Z)-2,3-bis(4-methylphenyl)-3-phenylprop-2-enenitrile
CID 177384504
2-(2-deuterio-1-phenylethylidene)propanedinitrile
CID 10797212
(E)-2,3-bis[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]but-2-enedinitrile
CID 102194233

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diphenyl-λ5-phosphanylidyne)-1-phenylethylidene]propanedinitrile?
The IUPAC name of 2-[2-(diphenyl-λ5-phosphanylidyne)-1-phenylethylidene]propanedinitrile (CID 174368817) is 2-[2-(diphenyl-λ5-phosphanylidyne)-1-phenylethylidene]propanedinitrile.
What is the SMILES notation for 2-[2-(diphenyl-λ5-phosphanylidyne)-1-phenylethylidene]propanedinitrile?
The canonical SMILES for 2-[2-(diphenyl-λ5-phosphanylidyne)-1-phenylethylidene]propanedinitrile is N#CC(C#N)=C(C#P(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[2-(diphenyl-λ5-phosphanylidyne)-1-phenylethylidene]propanedinitrile?
The InChIKey is HGJQGIYGBQVTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N2P/c24-16-20(17-25)23(19-10-4-1-5-11-19)18-26(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15H.
What are the key properties of 2-[2-(diphenyl-λ5-phosphanylidyne)-1-phenylethylidene]propanedinitrile?
2-[2-(diphenyl-λ5-phosphanylidyne)-1-phenylethylidene]propanedinitrile has a molecular weight of 350.36 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diphenyl-λ5-phosphanylidyne)-1-phenylethylidene]propanedinitrile is sourced from PubChem (CID 174368817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).