[ditert-butyl(phenoxy)-λ5-phosphanylidene]cyanamide

C15H23N2OP — CID 25242129

IUPAC[ditert-butyl(phenoxy)-λ5-phosphanylidene]cyanamide
SMILESCC(C)(C)P(=NC#N)(Oc1ccccc1)C(C)(C)C
InChIInChI=1S/C15H23N2OP/c1-14(2,3)19(17-12-16,15(4,5)6)18-13-10-8-7-9-11-13/h7-11H,1-6H3
InChIKeyYOJGMBFANNFKNS-UHFFFAOYSA-N
MW278.34 g/mol
LogP5.26
Rot. Bonds2

About [ditert-butyl(phenoxy)-λ5-phosphanylidene]cyanamide

[ditert-butyl(phenoxy)-λ5-phosphanylidene]cyanamide (PubChem CID 25242129) has the molecular formula C15H23N2OP and a molecular weight of 278.34 g/mol. Its IUPAC name is [ditert-butyl(phenoxy)-λ5-phosphanylidene]cyanamide.

Molecular Properties

Compound Name[ditert-butyl(phenoxy)-λ5-phosphanylidene]cyanamide
PubChem CID25242129
Molecular FormulaC15H23N2OP
Molecular Weight278.34 g/mol
Exact Mass278.15
IUPAC Name[ditert-butyl(phenoxy)-λ5-phosphanylidene]cyanamide
SMILESCC(C)(C)P(=NC#N)(Oc1ccccc1)C(C)(C)C
InChIInChI=1S/C15H23N2OP/c1-14(2,3)19(17-12-16,15(4,5)6)18-13-10-8-7-9-11-13/h7-11H,1-6H3
InChIKeyYOJGMBFANNFKNS-UHFFFAOYSA-N
XLogP5.26
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.34
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

diphenoxyphosphinothioylcyanamide
CID 134907897
[tert-butyl(phenyl)phosphoryl]oxybenzene
CID 91326926
triphenyl phosphate;hydrate
CID 66881958
disodium;phenyl phosphate
CID 2724225
tetrasodium phenyl phosphate
CID 172856118
4-diphenoxyphosphoryl-3-methylbut-2-enenitrile
CID 74317219
ethane;methane;methyl-methylimino-diphenoxy-λ5-phosphane
CID 162217804
5-phenoxybenzene-1,3-dicarbonitrile
CID 76539682
diphenyl hydrogen phosphate;dihydrate
CID 21115845
[methyl(diphenoxy)-λ5-phosphanylidene]azanide;yttrium
CID 58152781
argon;[chloro(phenoxy)phosphoryl]oxybenzene
CID 159408422
ditert-butyl(phenoxy)alumane
CID 16696692

Frequently Asked Questions

What is the IUPAC name of [ditert-butyl(phenoxy)-λ5-phosphanylidene]cyanamide?
The IUPAC name of [ditert-butyl(phenoxy)-λ5-phosphanylidene]cyanamide (CID 25242129) is [ditert-butyl(phenoxy)-λ5-phosphanylidene]cyanamide.
What is the SMILES notation for [ditert-butyl(phenoxy)-λ5-phosphanylidene]cyanamide?
The canonical SMILES for [ditert-butyl(phenoxy)-λ5-phosphanylidene]cyanamide is CC(C)(C)P(=NC#N)(Oc1ccccc1)C(C)(C)C.
What is the InChIKey of [ditert-butyl(phenoxy)-λ5-phosphanylidene]cyanamide?
The InChIKey is YOJGMBFANNFKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N2OP/c1-14(2,3)19(17-12-16,15(4,5)6)18-13-10-8-7-9-11-13/h7-11H,1-6H3.
What are the key properties of [ditert-butyl(phenoxy)-λ5-phosphanylidene]cyanamide?
[ditert-butyl(phenoxy)-λ5-phosphanylidene]cyanamide has a molecular weight of 278.34 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [ditert-butyl(phenoxy)-λ5-phosphanylidene]cyanamide is sourced from PubChem (CID 25242129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).