benzyl N-(triphenyl-λ5-phosphanylidene)carbamate

C26H22NO2P — CID 10916618

IUPACbenzyl N-(triphenyl-λ5-phosphanylidene)carbamate
SMILESO=C(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C26H22NO2P/c28-26(29-21-22-13-5-1-6-14-22)27-30(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2
InChIKeyAOTVRJMMNFRFAI-UHFFFAOYSA-N
MW411.44 g/mol
LogP5.50
Rot. Bonds5

About benzyl N-(triphenyl-λ5-phosphanylidene)carbamate

benzyl N-(triphenyl-λ5-phosphanylidene)carbamate (PubChem CID 10916618) has the molecular formula C26H22NO2P and a molecular weight of 411.44 g/mol. Its IUPAC name is benzyl N-(triphenyl-λ5-phosphanylidene)carbamate.

Molecular Properties

Compound Namebenzyl N-(triphenyl-λ5-phosphanylidene)carbamate
PubChem CID10916618
Molecular FormulaC26H22NO2P
Molecular Weight411.44 g/mol
Exact Mass411.14
IUPAC Namebenzyl N-(triphenyl-λ5-phosphanylidene)carbamate
SMILESO=C(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C26H22NO2P/c28-26(29-21-22-13-5-1-6-14-22)27-30(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2
InChIKeyAOTVRJMMNFRFAI-UHFFFAOYSA-N
XLogP5.50
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.44
LogP ≤ 55.50
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

benzyl N-(aminomethylidene)carbamate
CID 54386211
benzyl acetate
CID 8785
benzyl (E)-N-phenylmethoxycarbonylbenzenecarboximidate
CID 10472737
CID 174906307
CID 174906307
benzyl acetate;molecular nitrogen
CID 174861862
benzyl acetate;carbamic acid
CID 159542161
benzyl phenylmethoxycarbonyl carbonate
CID 3649378
benzyl carbonochloridate
CID 10387
benzyl carbamate;heptahydrochloride
CID 141351835
benzyl acetate;formonitrile
CID 175329925
benzyl benzoate
CID 2345
benzyl phenylmethoxycarbonyloxy carbonate;carbonic acid
CID 160645724

Frequently Asked Questions

What is the IUPAC name of benzyl N-(triphenyl-λ5-phosphanylidene)carbamate?
The IUPAC name of benzyl N-(triphenyl-λ5-phosphanylidene)carbamate (CID 10916618) is benzyl N-(triphenyl-λ5-phosphanylidene)carbamate.
What is the SMILES notation for benzyl N-(triphenyl-λ5-phosphanylidene)carbamate?
The canonical SMILES for benzyl N-(triphenyl-λ5-phosphanylidene)carbamate is O=C(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-(triphenyl-λ5-phosphanylidene)carbamate?
The InChIKey is AOTVRJMMNFRFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22NO2P/c28-26(29-21-22-13-5-1-6-14-22)27-30(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2.
What are the key properties of benzyl N-(triphenyl-λ5-phosphanylidene)carbamate?
benzyl N-(triphenyl-λ5-phosphanylidene)carbamate has a molecular weight of 411.44 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(triphenyl-λ5-phosphanylidene)carbamate is sourced from PubChem (CID 10916618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).