N'-[(E)-1-phenylethylideneamino]-N-(triphenyl-λ5-phosphanylidene)ethanimidamide

C28H26N3P — CID 12012455

IUPACN'-[(E)-1-phenylethylideneamino]-N-(triphenyl-λ5-phosphanylidene)ethanimidamide
SMILESC/C(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)=N\N=C(/C)c1ccccc1
InChIInChI=1S/C28H26N3P/c1-23(25-15-7-3-8-16-25)29-30-24(2)31-32(26-17-9-4-10-18-26,27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22H,1-2H3/b29-23+,30-24+
InChIKeyVDGHGDPSFPVGPI-HCTXVGCHSA-N
MW435.51 g/mol
LogP6.01
Rot. Bonds5

About N'-[(E)-1-phenylethylideneamino]-N-(triphenyl-λ5-phosphanylidene)ethanimidamide

N'-[(E)-1-phenylethylideneamino]-N-(triphenyl-λ5-phosphanylidene)ethanimidamide (PubChem CID 12012455) has the molecular formula C28H26N3P and a molecular weight of 435.51 g/mol. Its IUPAC name is N'-[(E)-1-phenylethylideneamino]-N-(triphenyl-λ5-phosphanylidene)ethanimidamide.

Molecular Properties

Compound NameN'-[(E)-1-phenylethylideneamino]-N-(triphenyl-λ5-phosphanylidene)ethanimidamide
PubChem CID12012455
Molecular FormulaC28H26N3P
Molecular Weight435.51 g/mol
Exact Mass435.19
IUPAC NameN'-[(E)-1-phenylethylideneamino]-N-(triphenyl-λ5-phosphanylidene)ethanimidamide
SMILESC/C(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)=N\N=C(/C)c1ccccc1
InChIInChI=1S/C28H26N3P/c1-23(25-15-7-3-8-16-25)29-30-24(2)31-32(26-17-9-4-10-18-26,27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22H,1-2H3/b29-23+,30-24+
InChIKeyVDGHGDPSFPVGPI-HCTXVGCHSA-N
XLogP6.01
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.51
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 127025281
CID 127025281
nickel(2+);bis(1-(1-phenylethylidenehydrazinylidene)-1-sulfidoethane)
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1,2,3-tris(1-phenylethylideneamino)guanidine
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(Z)-1,2-diphenyl-N-[(Z)-1-phenylethylideneamino]ethanimine
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(E)-N-[(E)-benzylideneamino]-1-phenylethanimine
CID 177482711
(Z)-N-phenoxy-1-phenylethanimine
CID 42624945
4-methyl-N-(triphenyl-λ5-phosphanylidene)benzamide
CID 13438783
2-[(E)-1-(4-phenylphenyl)ethylideneamino]guanidine;hydrochloride
CID 54612215
4-[(Z)-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol
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(E)-N-diphenylphosphinothioyl-1-(4-fluorophenyl)ethanimine
CID 71528482

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-1-phenylethylideneamino]-N-(triphenyl-λ5-phosphanylidene)ethanimidamide?
The IUPAC name of N'-[(E)-1-phenylethylideneamino]-N-(triphenyl-λ5-phosphanylidene)ethanimidamide (CID 12012455) is N'-[(E)-1-phenylethylideneamino]-N-(triphenyl-λ5-phosphanylidene)ethanimidamide.
What is the SMILES notation for N'-[(E)-1-phenylethylideneamino]-N-(triphenyl-λ5-phosphanylidene)ethanimidamide?
The canonical SMILES for N'-[(E)-1-phenylethylideneamino]-N-(triphenyl-λ5-phosphanylidene)ethanimidamide is C/C(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)=N\N=C(/C)c1ccccc1.
What is the InChIKey of N'-[(E)-1-phenylethylideneamino]-N-(triphenyl-λ5-phosphanylidene)ethanimidamide?
The InChIKey is VDGHGDPSFPVGPI-HCTXVGCHSA-N. The full InChI is InChI=1S/C28H26N3P/c1-23(25-15-7-3-8-16-25)29-30-24(2)31-32(26-17-9-4-10-18-26,27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22H,1-2H3/b29-23+,30-24+.
What are the key properties of N'-[(E)-1-phenylethylideneamino]-N-(triphenyl-λ5-phosphanylidene)ethanimidamide?
N'-[(E)-1-phenylethylideneamino]-N-(triphenyl-λ5-phosphanylidene)ethanimidamide has a molecular weight of 435.51 g/mol, XLogP of 6.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-1-phenylethylideneamino]-N-(triphenyl-λ5-phosphanylidene)ethanimidamide is sourced from PubChem (CID 12012455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).