[tert-butyl-(ditert-butylphosphanylamino)phosphanyl]benzene

C18H33NP2 — CID 123556769

IUPAC[tert-butyl-(ditert-butylphosphanylamino)phosphanyl]benzene
SMILESCC(C)(C)P(NP(C(C)(C)C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C18H33NP2/c1-16(2,3)20(15-13-11-10-12-14-15)19-21(17(4,5)6)18(7,8)9/h10-14,19H,1-9H3
InChIKeyDLKXZIRWSZHEMC-UHFFFAOYSA-N
MW325.42 g/mol
LogP6.09
Rot. Bonds3

About [tert-butyl-(ditert-butylphosphanylamino)phosphanyl]benzene

[tert-butyl-(ditert-butylphosphanylamino)phosphanyl]benzene (PubChem CID 123556769) has the molecular formula C18H33NP2 and a molecular weight of 325.42 g/mol. Its IUPAC name is [tert-butyl-(ditert-butylphosphanylamino)phosphanyl]benzene.

Molecular Properties

Compound Name[tert-butyl-(ditert-butylphosphanylamino)phosphanyl]benzene
PubChem CID123556769
Molecular FormulaC18H33NP2
Molecular Weight325.42 g/mol
Exact Mass325.21
IUPAC Name[tert-butyl-(ditert-butylphosphanylamino)phosphanyl]benzene
SMILESCC(C)(C)P(NP(C(C)(C)C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C18H33NP2/c1-16(2,3)20(15-13-11-10-12-14-15)19-21(17(4,5)6)18(7,8)9/h10-14,19H,1-9H3
InChIKeyDLKXZIRWSZHEMC-UHFFFAOYSA-N
XLogP6.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.42
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethylpropane;triphenylphosphane
CID 143924519
borane;methyl(diphenyl)phosphane
CID 13485169
ditert-butyl(phenyl)phosphane;dichloropalladium
CID 87286096
bis[tert-butyl(phenyl)phosphanyl]-trimethylsilylphosphane
CID 15264778
1-diphenylphosphanylethane-1,1-diol
CID 151023834
methyl(diphenyl)phosphane;palladium(2+);dichloride
CID 175235701
carbanide;gold(1+);methyl(diphenyl)phosphane
CID 87994939
[3-(1-diphenylphosphanylethyl)-3,4-dimethylpentan-2-yl]-diphenylphosphane
CID 22672805
tert-butyl-[(4-methylphenyl)methyl]-phenylphosphane
CID 134940623
ethane;triphenylphosphane
CID 90942156
N-diphenylphosphanylmethanamine
CID 11365917
(3-diphenylphosphanyl-2,2-dimethylpropyl)-diphenylphosphane;methane
CID 159058846

Frequently Asked Questions

What is the IUPAC name of [tert-butyl-(ditert-butylphosphanylamino)phosphanyl]benzene?
The IUPAC name of [tert-butyl-(ditert-butylphosphanylamino)phosphanyl]benzene (CID 123556769) is [tert-butyl-(ditert-butylphosphanylamino)phosphanyl]benzene.
What is the SMILES notation for [tert-butyl-(ditert-butylphosphanylamino)phosphanyl]benzene?
The canonical SMILES for [tert-butyl-(ditert-butylphosphanylamino)phosphanyl]benzene is CC(C)(C)P(NP(C(C)(C)C)C(C)(C)C)c1ccccc1.
What is the InChIKey of [tert-butyl-(ditert-butylphosphanylamino)phosphanyl]benzene?
The InChIKey is DLKXZIRWSZHEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NP2/c1-16(2,3)20(15-13-11-10-12-14-15)19-21(17(4,5)6)18(7,8)9/h10-14,19H,1-9H3.
What are the key properties of [tert-butyl-(ditert-butylphosphanylamino)phosphanyl]benzene?
[tert-butyl-(ditert-butylphosphanylamino)phosphanyl]benzene has a molecular weight of 325.42 g/mol, XLogP of 6.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl-(ditert-butylphosphanylamino)phosphanyl]benzene is sourced from PubChem (CID 123556769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).