1-(1-adamantyl)-2-[(triphenyl-λ5-phosphanylidene)amino]ethanone

C30H32NOP — CID 4135327

IUPAC1-(1-adamantyl)-2-[(triphenyl-λ5-phosphanylidene)amino]ethanone
SMILESO=C(CN=P(c1ccccc1)(c1ccccc1)c1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C30H32NOP/c32-29(30-19-23-16-24(20-30)18-25(17-23)21-30)22-31-33(26-10-4-1-5-11-26,27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-15,23-25H,16-22H2
InChIKeyZKARLFLDXUWYIH-UHFFFAOYSA-N
MW453.57 g/mol
LogP5.95
Rot. Bonds6

About 1-(1-adamantyl)-2-[(triphenyl-λ5-phosphanylidene)amino]ethanone

1-(1-adamantyl)-2-[(triphenyl-λ5-phosphanylidene)amino]ethanone (PubChem CID 4135327) has the molecular formula C30H32NOP and a molecular weight of 453.57 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-[(triphenyl-λ5-phosphanylidene)amino]ethanone.

Molecular Properties

Compound Name1-(1-adamantyl)-2-[(triphenyl-λ5-phosphanylidene)amino]ethanone
PubChem CID4135327
Molecular FormulaC30H32NOP
Molecular Weight453.57 g/mol
Exact Mass453.22
IUPAC Name1-(1-adamantyl)-2-[(triphenyl-λ5-phosphanylidene)amino]ethanone
SMILESO=C(CN=P(c1ccccc1)(c1ccccc1)c1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C30H32NOP/c32-29(30-19-23-16-24(20-30)18-25(17-23)21-30)22-31-33(26-10-4-1-5-11-26,27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-15,23-25H,16-22H2
InChIKeyZKARLFLDXUWYIH-UHFFFAOYSA-N
XLogP5.95
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.57
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-adamantyl-(2-methylphenyl)methanone
CID 62796226
bis(adamantane-1-carboxylic acid);iodobenzene
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N-(benzylideneamino)adamantane-1-carboxamide
CID 2837531
1-[1-adamantyl(phenyl)phosphoryl]adamantane
CID 151160531
N'-benzyladamantane-1-carboximidamide
CID 18373602
S-phenyl adamantane-1-carbothioate
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N-[(4-anilinophenyl)methyl]-N-hydroxyadamantane-1-carboxamide
CID 166062124
adamantane-1-carboxylic acid;benzamide
CID 175381809
1-(1-adamantyl)-2-fluoroethanone
CID 4015721
1-(1-adamantyl)-2-chloroethanone
CID 12824145
1-(1-adamantyl)-2-(4-chloroanilino)ethanone
CID 59322088

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-[(triphenyl-λ5-phosphanylidene)amino]ethanone?
The IUPAC name of 1-(1-adamantyl)-2-[(triphenyl-λ5-phosphanylidene)amino]ethanone (CID 4135327) is 1-(1-adamantyl)-2-[(triphenyl-λ5-phosphanylidene)amino]ethanone.
What is the SMILES notation for 1-(1-adamantyl)-2-[(triphenyl-λ5-phosphanylidene)amino]ethanone?
The canonical SMILES for 1-(1-adamantyl)-2-[(triphenyl-λ5-phosphanylidene)amino]ethanone is O=C(CN=P(c1ccccc1)(c1ccccc1)c1ccccc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-2-[(triphenyl-λ5-phosphanylidene)amino]ethanone?
The InChIKey is ZKARLFLDXUWYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32NOP/c32-29(30-19-23-16-24(20-30)18-25(17-23)21-30)22-31-33(26-10-4-1-5-11-26,27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-15,23-25H,16-22H2.
What are the key properties of 1-(1-adamantyl)-2-[(triphenyl-λ5-phosphanylidene)amino]ethanone?
1-(1-adamantyl)-2-[(triphenyl-λ5-phosphanylidene)amino]ethanone has a molecular weight of 453.57 g/mol, XLogP of 5.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-[(triphenyl-λ5-phosphanylidene)amino]ethanone is sourced from PubChem (CID 4135327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).