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

C30H27N2P — CID 134876968

IUPAC(Z)-N-[(E)-1-phenylprop-2-enylideneamino]-1-(triphenyl-λ5-phosphanylidene)propan-2-imine
SMILESC=C/C(=N\N=C(\C)C=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H27N2P/c1-3-30(26-16-8-4-9-17-26)32-31-25(2)24-33(27-18-10-5-11-19-27,28-20-12-6-13-21-28)29-22-14-7-15-23-29/h3-24H,1H2,2H3/b31-25-,32-30+
InChIKeyCGJRAPDSYZEOCT-UFPZHUDHSA-N
MW446.53 g/mol
LogP5.83
Rot. Bonds7

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

(Z)-N-[(E)-1-phenylprop-2-enylideneamino]-1-(triphenyl-λ5-phosphanylidene)propan-2-imine (PubChem CID 134876968) has the molecular formula C30H27N2P and a molecular weight of 446.53 g/mol. Its IUPAC name is (Z)-N-[(E)-1-phenylprop-2-enylideneamino]-1-(triphenyl-λ5-phosphanylidene)propan-2-imine.

Molecular Properties

Compound Name(Z)-N-[(E)-1-phenylprop-2-enylideneamino]-1-(triphenyl-λ5-phosphanylidene)propan-2-imine
PubChem CID134876968
Molecular FormulaC30H27N2P
Molecular Weight446.53 g/mol
Exact Mass446.19
IUPAC Name(Z)-N-[(E)-1-phenylprop-2-enylideneamino]-1-(triphenyl-λ5-phosphanylidene)propan-2-imine
SMILESC=C/C(=N\N=C(\C)C=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H27N2P/c1-3-30(26-16-8-4-9-17-26)32-31-25(2)24-33(27-18-10-5-11-19-27,28-20-12-6-13-21-28)29-22-14-7-15-23-29/h3-24H,1H2,2H3/b31-25-,32-30+
InChIKeyCGJRAPDSYZEOCT-UFPZHUDHSA-N
XLogP5.83
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.53
LogP ≤ 55.83
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-phenylprop-2-enylideneamino]-1-(triphenyl-λ5-phosphanylidene)propan-2-imine?
The IUPAC name of (Z)-N-[(E)-1-phenylprop-2-enylideneamino]-1-(triphenyl-λ5-phosphanylidene)propan-2-imine (CID 134876968) is (Z)-N-[(E)-1-phenylprop-2-enylideneamino]-1-(triphenyl-λ5-phosphanylidene)propan-2-imine.
What is the SMILES notation for (Z)-N-[(E)-1-phenylprop-2-enylideneamino]-1-(triphenyl-λ5-phosphanylidene)propan-2-imine?
The canonical SMILES for (Z)-N-[(E)-1-phenylprop-2-enylideneamino]-1-(triphenyl-λ5-phosphanylidene)propan-2-imine is C=C/C(=N\N=C(\C)C=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-N-[(E)-1-phenylprop-2-enylideneamino]-1-(triphenyl-λ5-phosphanylidene)propan-2-imine?
The InChIKey is CGJRAPDSYZEOCT-UFPZHUDHSA-N. The full InChI is InChI=1S/C30H27N2P/c1-3-30(26-16-8-4-9-17-26)32-31-25(2)24-33(27-18-10-5-11-19-27,28-20-12-6-13-21-28)29-22-14-7-15-23-29/h3-24H,1H2,2H3/b31-25-,32-30+.
What are the key properties of (Z)-N-[(E)-1-phenylprop-2-enylideneamino]-1-(triphenyl-λ5-phosphanylidene)propan-2-imine?
(Z)-N-[(E)-1-phenylprop-2-enylideneamino]-1-(triphenyl-λ5-phosphanylidene)propan-2-imine has a molecular weight of 446.53 g/mol, XLogP of 5.83, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(E)-1-phenylprop-2-enylideneamino]-1-(triphenyl-λ5-phosphanylidene)propan-2-imine is sourced from PubChem (CID 134876968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).