azane;ethane;[(3E)-hexa-1,3,5-trien-3-yl]-imino-diphenyl-λ5-phosphane;methane

C21H31N2P — CID 144722951

IUPACazane;ethane;[(3E)-hexa-1,3,5-trien-3-yl]-imino-diphenyl-λ5-phosphane;methane
SMILESC.CC.N.[H]N=P(/C(C=C)=C/C=C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18NP.C2H6.CH4.H3N/c1-3-11-16(4-2)20(19,17-12-7-5-8-13-17)18-14-9-6-10-15-18;1-2;;/h3-15,19H,1-2H2;1-2H3;1H4;1H3/b16-11+;;;
InChIKeyBZNYHXILBSAFFT-KOWHYRDCSA-N
MW342.47 g/mol
LogP6.50
Rot. Bonds5

About azane;ethane;[(3E)-hexa-1,3,5-trien-3-yl]-imino-diphenyl-λ5-phosphane;methane

azane;ethane;[(3E)-hexa-1,3,5-trien-3-yl]-imino-diphenyl-λ5-phosphane;methane (PubChem CID 144722951) has the molecular formula C21H31N2P and a molecular weight of 342.47 g/mol. Its IUPAC name is azane;ethane;[(3E)-hexa-1,3,5-trien-3-yl]-imino-diphenyl-λ5-phosphane;methane.

Molecular Properties

Compound Nameazane;ethane;[(3E)-hexa-1,3,5-trien-3-yl]-imino-diphenyl-λ5-phosphane;methane
PubChem CID144722951
Molecular FormulaC21H31N2P
Molecular Weight342.47 g/mol
Exact Mass342.22
IUPAC Nameazane;ethane;[(3E)-hexa-1,3,5-trien-3-yl]-imino-diphenyl-λ5-phosphane;methane
SMILESC.CC.N.[H]N=P(/C(C=C)=C/C=C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18NP.C2H6.CH4.H3N/c1-3-11-16(4-2)20(19,17-12-7-5-8-13-17)18-14-9-6-10-15-18;1-2;;/h3-15,19H,1-2H2;1-2H3;1H4;1H3/b16-11+;;;
InChIKeyBZNYHXILBSAFFT-KOWHYRDCSA-N
XLogP6.50
TPSA58.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.47
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;ethane;[(3E)-hexa-1,3,5-trien-3-yl]-imino-diphenyl-λ5-phosphane;methane?
The IUPAC name of azane;ethane;[(3E)-hexa-1,3,5-trien-3-yl]-imino-diphenyl-λ5-phosphane;methane (CID 144722951) is azane;ethane;[(3E)-hexa-1,3,5-trien-3-yl]-imino-diphenyl-λ5-phosphane;methane.
What is the SMILES notation for azane;ethane;[(3E)-hexa-1,3,5-trien-3-yl]-imino-diphenyl-λ5-phosphane;methane?
The canonical SMILES for azane;ethane;[(3E)-hexa-1,3,5-trien-3-yl]-imino-diphenyl-λ5-phosphane;methane is C.CC.N.[H]N=P(/C(C=C)=C/C=C)(c1ccccc1)c1ccccc1.
What is the InChIKey of azane;ethane;[(3E)-hexa-1,3,5-trien-3-yl]-imino-diphenyl-λ5-phosphane;methane?
The InChIKey is BZNYHXILBSAFFT-KOWHYRDCSA-N. The full InChI is InChI=1S/C18H18NP.C2H6.CH4.H3N/c1-3-11-16(4-2)20(19,17-12-7-5-8-13-17)18-14-9-6-10-15-18;1-2;;/h3-15,19H,1-2H2;1-2H3;1H4;1H3/b16-11+;;;.
What are the key properties of azane;ethane;[(3E)-hexa-1,3,5-trien-3-yl]-imino-diphenyl-λ5-phosphane;methane?
azane;ethane;[(3E)-hexa-1,3,5-trien-3-yl]-imino-diphenyl-λ5-phosphane;methane has a molecular weight of 342.47 g/mol, XLogP of 6.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethane;[(3E)-hexa-1,3,5-trien-3-yl]-imino-diphenyl-λ5-phosphane;methane is sourced from PubChem (CID 144722951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).