(E)-3-phenyl-N-(triphenyl-λ5-phosphanylidene)prop-2-enamide

C27H22NOP — CID 134920511

IUPAC(E)-3-phenyl-N-(triphenyl-λ5-phosphanylidene)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H22NOP/c29-27(22-21-23-13-5-1-6-14-23)28-30(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H/b22-21+
InChIKeyWPHBJIZCMIQYBI-QURGRASLSA-N
MW407.45 g/mol
LogP5.40
Rot. Bonds5

About (E)-3-phenyl-N-(triphenyl-λ5-phosphanylidene)prop-2-enamide

(E)-3-phenyl-N-(triphenyl-λ5-phosphanylidene)prop-2-enamide (PubChem CID 134920511) has the molecular formula C27H22NOP and a molecular weight of 407.45 g/mol. Its IUPAC name is (E)-3-phenyl-N-(triphenyl-λ5-phosphanylidene)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-N-(triphenyl-λ5-phosphanylidene)prop-2-enamide
PubChem CID134920511
Molecular FormulaC27H22NOP
Molecular Weight407.45 g/mol
Exact Mass407.14
IUPAC Name(E)-3-phenyl-N-(triphenyl-λ5-phosphanylidene)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H22NOP/c29-27(22-21-23-13-5-1-6-14-23)28-30(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H/b22-21+
InChIKeyWPHBJIZCMIQYBI-QURGRASLSA-N
XLogP5.40
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.45
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-phenylprop-2-enoic acid
CID 5372954
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
carbanide;bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium(2+)
CID 161273372
3-phenylprop-2-enoic acid;hydrobromide
CID 172826551
azane;1,5-diphenylpenta-1,4-dien-3-one
CID 172776077
(1Z,4Z)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium
CID 154825040
1,5-diphenylpenta-1,4-dien-3-one;hydrochloride
CID 70139846
3-phenylprop-2-enoic acid;hydrofluoride
CID 159150390
tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)
CID 140752753
bis((E)-3-phenylprop-2-enoic acid);zinc
CID 11291345
CID 131855579
CID 131855579
azane;3-phenylprop-2-enoic acid
CID 66894546

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-N-(triphenyl-λ5-phosphanylidene)prop-2-enamide?
The IUPAC name of (E)-3-phenyl-N-(triphenyl-λ5-phosphanylidene)prop-2-enamide (CID 134920511) is (E)-3-phenyl-N-(triphenyl-λ5-phosphanylidene)prop-2-enamide.
What is the SMILES notation for (E)-3-phenyl-N-(triphenyl-λ5-phosphanylidene)prop-2-enamide?
The canonical SMILES for (E)-3-phenyl-N-(triphenyl-λ5-phosphanylidene)prop-2-enamide is O=C(/C=C/c1ccccc1)N=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-3-phenyl-N-(triphenyl-λ5-phosphanylidene)prop-2-enamide?
The InChIKey is WPHBJIZCMIQYBI-QURGRASLSA-N. The full InChI is InChI=1S/C27H22NOP/c29-27(22-21-23-13-5-1-6-14-23)28-30(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H/b22-21+.
What are the key properties of (E)-3-phenyl-N-(triphenyl-λ5-phosphanylidene)prop-2-enamide?
(E)-3-phenyl-N-(triphenyl-λ5-phosphanylidene)prop-2-enamide has a molecular weight of 407.45 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-(triphenyl-λ5-phosphanylidene)prop-2-enamide is sourced from PubChem (CID 134920511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).