1,3-ditert-butyl-2-N,4-N-diphenyl-1,3-diphosphetane-2,4-diimine

C22H28N2P2 — CID 13101878

IUPAC1,3-ditert-butyl-2-N,4-N-diphenyl-1,3-diphosphetane-2,4-diimine
SMILESCC(C)(C)P1C(=Nc2ccccc2)P(C(C)(C)C)C1=Nc1ccccc1
InChIInChI=1S/C22H28N2P2/c1-21(2,3)25-19(23-17-13-9-7-10-14-17)26(22(4,5)6)20(25)24-18-15-11-8-12-16-18/h7-16H,1-6H3/b23-19-,24-20+
InChIKeyJRAJSUVLMOUKEQ-KDMDJZHMSA-N
MW382.43 g/mol
LogP7.94
Rot. Bonds2

About 1,3-ditert-butyl-2-N,4-N-diphenyl-1,3-diphosphetane-2,4-diimine

1,3-ditert-butyl-2-N,4-N-diphenyl-1,3-diphosphetane-2,4-diimine (PubChem CID 13101878) has the molecular formula C22H28N2P2 and a molecular weight of 382.43 g/mol. Its IUPAC name is 1,3-ditert-butyl-2-N,4-N-diphenyl-1,3-diphosphetane-2,4-diimine.

Molecular Properties

Compound Name1,3-ditert-butyl-2-N,4-N-diphenyl-1,3-diphosphetane-2,4-diimine
PubChem CID13101878
Molecular FormulaC22H28N2P2
Molecular Weight382.43 g/mol
Exact Mass382.17
IUPAC Name1,3-ditert-butyl-2-N,4-N-diphenyl-1,3-diphosphetane-2,4-diimine
SMILESCC(C)(C)P1C(=Nc2ccccc2)P(C(C)(C)C)C1=Nc1ccccc1
InChIInChI=1S/C22H28N2P2/c1-21(2,3)25-19(23-17-13-9-7-10-14-17)26(22(4,5)6)20(25)24-18-15-11-8-12-16-18/h7-16H,1-6H3/b23-19-,24-20+
InChIKeyJRAJSUVLMOUKEQ-KDMDJZHMSA-N
XLogP7.94
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.43
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butyl-2-N,4-N-diphenyl-1,3-diphosphetane-2,4-diimine?
The IUPAC name of 1,3-ditert-butyl-2-N,4-N-diphenyl-1,3-diphosphetane-2,4-diimine (CID 13101878) is 1,3-ditert-butyl-2-N,4-N-diphenyl-1,3-diphosphetane-2,4-diimine.
What is the SMILES notation for 1,3-ditert-butyl-2-N,4-N-diphenyl-1,3-diphosphetane-2,4-diimine?
The canonical SMILES for 1,3-ditert-butyl-2-N,4-N-diphenyl-1,3-diphosphetane-2,4-diimine is CC(C)(C)P1C(=Nc2ccccc2)P(C(C)(C)C)C1=Nc1ccccc1.
What is the InChIKey of 1,3-ditert-butyl-2-N,4-N-diphenyl-1,3-diphosphetane-2,4-diimine?
The InChIKey is JRAJSUVLMOUKEQ-KDMDJZHMSA-N. The full InChI is InChI=1S/C22H28N2P2/c1-21(2,3)25-19(23-17-13-9-7-10-14-17)26(22(4,5)6)20(25)24-18-15-11-8-12-16-18/h7-16H,1-6H3/b23-19-,24-20+.
What are the key properties of 1,3-ditert-butyl-2-N,4-N-diphenyl-1,3-diphosphetane-2,4-diimine?
1,3-ditert-butyl-2-N,4-N-diphenyl-1,3-diphosphetane-2,4-diimine has a molecular weight of 382.43 g/mol, XLogP of 7.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-ditert-butyl-2-N,4-N-diphenyl-1,3-diphosphetane-2,4-diimine is sourced from PubChem (CID 13101878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).