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

C29H27N2P — CID 134877191

IUPAC(Z)-N-[(E)-1-phenylethylideneamino]-1-(triphenyl-λ5-phosphanylidene)propan-2-imine
SMILESC/C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)=N/N=C(\C)c1ccccc1
InChIInChI=1S/C29H27N2P/c1-24(30-31-25(2)26-15-7-3-8-16-26)23-32(27-17-9-4-10-18-27,28-19-11-5-12-20-28)29-21-13-6-14-22-29/h3-23H,1-2H3/b30-24-,31-25+
InChIKeyZTLZEIIUTQPHHF-LQAAPGBJSA-N
MW434.52 g/mol
LogP5.67
Rot. Bonds6

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

(Z)-N-[(E)-1-phenylethylideneamino]-1-(triphenyl-λ5-phosphanylidene)propan-2-imine (PubChem CID 134877191) has the molecular formula C29H27N2P and a molecular weight of 434.52 g/mol. Its IUPAC name is (Z)-N-[(E)-1-phenylethylideneamino]-1-(triphenyl-λ5-phosphanylidene)propan-2-imine.

Molecular Properties

Compound Name(Z)-N-[(E)-1-phenylethylideneamino]-1-(triphenyl-λ5-phosphanylidene)propan-2-imine
PubChem CID134877191
Molecular FormulaC29H27N2P
Molecular Weight434.52 g/mol
Exact Mass434.19
IUPAC Name(Z)-N-[(E)-1-phenylethylideneamino]-1-(triphenyl-λ5-phosphanylidene)propan-2-imine
SMILESC/C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)=N/N=C(\C)c1ccccc1
InChIInChI=1S/C29H27N2P/c1-24(30-31-25(2)26-15-7-3-8-16-26)23-32(27-17-9-4-10-18-27,28-19-11-5-12-20-28)29-21-13-6-14-22-29/h3-23H,1-2H3/b30-24-,31-25+
InChIKeyZTLZEIIUTQPHHF-LQAAPGBJSA-N
XLogP5.67
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.52
LogP ≤ 55.67
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-[(E)-1-phenylethylideneamino]-1-(triphenyl-λ5-phosphanylidene)propan-2-imine?
The IUPAC name of (Z)-N-[(E)-1-phenylethylideneamino]-1-(triphenyl-λ5-phosphanylidene)propan-2-imine (CID 134877191) is (Z)-N-[(E)-1-phenylethylideneamino]-1-(triphenyl-λ5-phosphanylidene)propan-2-imine.
What is the SMILES notation for (Z)-N-[(E)-1-phenylethylideneamino]-1-(triphenyl-λ5-phosphanylidene)propan-2-imine?
The canonical SMILES for (Z)-N-[(E)-1-phenylethylideneamino]-1-(triphenyl-λ5-phosphanylidene)propan-2-imine is C/C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)=N/N=C(\C)c1ccccc1.
What is the InChIKey of (Z)-N-[(E)-1-phenylethylideneamino]-1-(triphenyl-λ5-phosphanylidene)propan-2-imine?
The InChIKey is ZTLZEIIUTQPHHF-LQAAPGBJSA-N. The full InChI is InChI=1S/C29H27N2P/c1-24(30-31-25(2)26-15-7-3-8-16-26)23-32(27-17-9-4-10-18-27,28-19-11-5-12-20-28)29-21-13-6-14-22-29/h3-23H,1-2H3/b30-24-,31-25+.
What are the key properties of (Z)-N-[(E)-1-phenylethylideneamino]-1-(triphenyl-λ5-phosphanylidene)propan-2-imine?
(Z)-N-[(E)-1-phenylethylideneamino]-1-(triphenyl-λ5-phosphanylidene)propan-2-imine has a molecular weight of 434.52 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(E)-1-phenylethylideneamino]-1-(triphenyl-λ5-phosphanylidene)propan-2-imine is sourced from PubChem (CID 134877191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).