N-[4-(triphenyl-λ5-phosphanylidene)cyclohexa-2,5-dien-1-ylidene]acetamide

C26H22NOP — CID 126419240

IUPACN-[4-(triphenyl-λ5-phosphanylidene)cyclohexa-2,5-dien-1-ylidene]acetamide
SMILESCC(=O)N=C1C=CC(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C=C1
InChIInChI=1S/C26H22NOP/c1-21(28)27-22-17-19-26(20-18-22)29(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-20H,1H3
InChIKeyCLEPJFBETGZMQI-UHFFFAOYSA-N
MW395.44 g/mol
LogP4.27
Rot. Bonds3

About N-[4-(triphenyl-λ5-phosphanylidene)cyclohexa-2,5-dien-1-ylidene]acetamide

N-[4-(triphenyl-λ5-phosphanylidene)cyclohexa-2,5-dien-1-ylidene]acetamide (PubChem CID 126419240) has the molecular formula C26H22NOP and a molecular weight of 395.44 g/mol. Its IUPAC name is N-[4-(triphenyl-λ5-phosphanylidene)cyclohexa-2,5-dien-1-ylidene]acetamide.

Molecular Properties

Compound NameN-[4-(triphenyl-λ5-phosphanylidene)cyclohexa-2,5-dien-1-ylidene]acetamide
PubChem CID126419240
Molecular FormulaC26H22NOP
Molecular Weight395.44 g/mol
Exact Mass395.14
IUPAC NameN-[4-(triphenyl-λ5-phosphanylidene)cyclohexa-2,5-dien-1-ylidene]acetamide
SMILESCC(=O)N=C1C=CC(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C=C1
InChIInChI=1S/C26H22NOP/c1-21(28)27-22-17-19-26(20-18-22)29(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-20H,1H3
InChIKeyCLEPJFBETGZMQI-UHFFFAOYSA-N
XLogP4.27
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-(4-anilino-4-phenylcyclohexa-2,5-dien-1-ylidene)acetamide
CID 10470181
2-(triphenyl-λ5-phosphanylidene)propanoic acid
CID 13030225
2-[3-(triphenyl-λ5-phosphanylidene)cyclopenta-1,4-dien-1-yl]ethene-1,1,2-tricarbonitrile
CID 139090481
N-(4-oxo-2-phenylcyclohexa-2,5-dien-1-ylidene)acetamide
CID 90236585
CID 66766975
CID 66766975
4-methyl-N-(triphenyl-λ5-phosphanylidene)benzamide
CID 13438783
2-[(triphenyl-λ5-phosphanylidene)amino]propanoic acid
CID 134884381
N-[4-[(triphenyl-λ5-phosphanylidene)amino]sulfonylphenyl]acetamide
CID 139078728
methyl(phenyl)phosphinic acid;zinc
CID 66618039
acetic acid;1,1'-biphenyl;ethane
CID 91464981
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
acetic acid;phenol
CID 70537927

Frequently Asked Questions

What is the IUPAC name of N-[4-(triphenyl-λ5-phosphanylidene)cyclohexa-2,5-dien-1-ylidene]acetamide?
The IUPAC name of N-[4-(triphenyl-λ5-phosphanylidene)cyclohexa-2,5-dien-1-ylidene]acetamide (CID 126419240) is N-[4-(triphenyl-λ5-phosphanylidene)cyclohexa-2,5-dien-1-ylidene]acetamide.
What is the SMILES notation for N-[4-(triphenyl-λ5-phosphanylidene)cyclohexa-2,5-dien-1-ylidene]acetamide?
The canonical SMILES for N-[4-(triphenyl-λ5-phosphanylidene)cyclohexa-2,5-dien-1-ylidene]acetamide is CC(=O)N=C1C=CC(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C=C1.
What is the InChIKey of N-[4-(triphenyl-λ5-phosphanylidene)cyclohexa-2,5-dien-1-ylidene]acetamide?
The InChIKey is CLEPJFBETGZMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22NOP/c1-21(28)27-22-17-19-26(20-18-22)29(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-20H,1H3.
What are the key properties of N-[4-(triphenyl-λ5-phosphanylidene)cyclohexa-2,5-dien-1-ylidene]acetamide?
N-[4-(triphenyl-λ5-phosphanylidene)cyclohexa-2,5-dien-1-ylidene]acetamide has a molecular weight of 395.44 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(triphenyl-λ5-phosphanylidene)cyclohexa-2,5-dien-1-ylidene]acetamide is sourced from PubChem (CID 126419240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).