(Z)-N-[(Z)-benzylideneamino]-1-(triphenyl-λ5-phosphanylidene)propan-2-imine

C28H25N2P — CID 134876722

IUPAC(Z)-N-[(Z)-benzylideneamino]-1-(triphenyl-λ5-phosphanylidene)propan-2-imine
SMILESC/C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)=N/N=C\c1ccccc1
InChIInChI=1S/C28H25N2P/c1-24(30-29-22-25-14-6-2-7-15-25)23-31(26-16-8-3-9-17-26,27-18-10-4-11-19-27)28-20-12-5-13-21-28/h2-23H,1H3/b29-22-,30-24-
InChIKeyDKBXMLJANGZRKX-JUQOCJSASA-N
MW420.50 g/mol
LogP5.28
Rot. Bonds6

About (Z)-N-[(Z)-benzylideneamino]-1-(triphenyl-λ5-phosphanylidene)propan-2-imine

(Z)-N-[(Z)-benzylideneamino]-1-(triphenyl-λ5-phosphanylidene)propan-2-imine (PubChem CID 134876722) has the molecular formula C28H25N2P and a molecular weight of 420.50 g/mol. Its IUPAC name is (Z)-N-[(Z)-benzylideneamino]-1-(triphenyl-λ5-phosphanylidene)propan-2-imine.

Molecular Properties

Compound Name(Z)-N-[(Z)-benzylideneamino]-1-(triphenyl-λ5-phosphanylidene)propan-2-imine
PubChem CID134876722
Molecular FormulaC28H25N2P
Molecular Weight420.50 g/mol
Exact Mass420.18
IUPAC Name(Z)-N-[(Z)-benzylideneamino]-1-(triphenyl-λ5-phosphanylidene)propan-2-imine
SMILESC/C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)=N/N=C\c1ccccc1
InChIInChI=1S/C28H25N2P/c1-24(30-29-22-25-14-6-2-7-15-25)23-31(26-16-8-3-9-17-26,27-18-10-4-11-19-27)28-20-12-5-13-21-28/h2-23H,1H3/b29-22-,30-24-
InChIKeyDKBXMLJANGZRKX-JUQOCJSASA-N
XLogP5.28
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.50
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(Z)-benzylideneamino]-1-(triphenyl-λ5-phosphanylidene)propan-2-imine?
The IUPAC name of (Z)-N-[(Z)-benzylideneamino]-1-(triphenyl-λ5-phosphanylidene)propan-2-imine (CID 134876722) is (Z)-N-[(Z)-benzylideneamino]-1-(triphenyl-λ5-phosphanylidene)propan-2-imine.
What is the SMILES notation for (Z)-N-[(Z)-benzylideneamino]-1-(triphenyl-λ5-phosphanylidene)propan-2-imine?
The canonical SMILES for (Z)-N-[(Z)-benzylideneamino]-1-(triphenyl-λ5-phosphanylidene)propan-2-imine is C/C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)=N/N=C\c1ccccc1.
What is the InChIKey of (Z)-N-[(Z)-benzylideneamino]-1-(triphenyl-λ5-phosphanylidene)propan-2-imine?
The InChIKey is DKBXMLJANGZRKX-JUQOCJSASA-N. The full InChI is InChI=1S/C28H25N2P/c1-24(30-29-22-25-14-6-2-7-15-25)23-31(26-16-8-3-9-17-26,27-18-10-4-11-19-27)28-20-12-5-13-21-28/h2-23H,1H3/b29-22-,30-24-.
What are the key properties of (Z)-N-[(Z)-benzylideneamino]-1-(triphenyl-λ5-phosphanylidene)propan-2-imine?
(Z)-N-[(Z)-benzylideneamino]-1-(triphenyl-λ5-phosphanylidene)propan-2-imine has a molecular weight of 420.50 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(Z)-benzylideneamino]-1-(triphenyl-λ5-phosphanylidene)propan-2-imine is sourced from PubChem (CID 134876722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).