ditert-butyl-[[3-(ditert-butylphosphinimylmethyl)phenyl]methyl]-imino-lambda5-phosphane

C24H46N2P2 — CID 5251980

IUPACditert-butyl-[[3-(ditert-butylphosphinimylmethyl)phenyl]methyl]-imino-lambda5-phosphane
SMILES[H]N=P(Cc1cccc(CP(=N[H])(C(C)(C)C)C(C)(C)C)c1)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C24H46N2P2/c1-21(2,3)27(25,22(4,5)6)17-19-14-13-15-20(16-19)18-28(26,23(7,8)9)24(10,11)12/h13-16,25-26H,17-18H2,1-12H3
InChIKeyZNIWQZQZYFLPQW-UHFFFAOYSA-N
MW424.59 g/mol
LogP9.44
Rot. Bonds4

About ditert-butyl-[[3-(ditert-butylphosphinimylmethyl)phenyl]methyl]-imino-lambda5-phosphane

ditert-butyl-[[3-(ditert-butylphosphinimylmethyl)phenyl]methyl]-imino-lambda5-phosphane (PubChem CID 5251980) has the molecular formula C24H46N2P2 and a molecular weight of 424.59 g/mol. Its IUPAC name is ditert-butyl-[[3-(ditert-butylphosphinimylmethyl)phenyl]methyl]-imino-lambda5-phosphane.

Molecular Properties

Compound Nameditert-butyl-[[3-(ditert-butylphosphinimylmethyl)phenyl]methyl]-imino-lambda5-phosphane
PubChem CID5251980
Molecular FormulaC24H46N2P2
Molecular Weight424.59 g/mol
Exact Mass424.31
IUPAC Nameditert-butyl-[[3-(ditert-butylphosphinimylmethyl)phenyl]methyl]-imino-lambda5-phosphane
SMILES[H]N=P(Cc1cccc(CP(=N[H])(C(C)(C)C)C(C)(C)C)c1)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C24H46N2P2/c1-21(2,3)27(25,22(4,5)6)17-19-14-13-15-20(16-19)18-28(26,23(7,8)9)24(10,11)12/h13-16,25-26H,17-18H2,1-12H3
InChIKeyZNIWQZQZYFLPQW-UHFFFAOYSA-N
XLogP9.44
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 59.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ditert-butyl-[[3-(ditert-butylphosphinimylmethyl)phenyl]methyl]-imino-lambda5-phosphane?
The IUPAC name of ditert-butyl-[[3-(ditert-butylphosphinimylmethyl)phenyl]methyl]-imino-lambda5-phosphane (CID 5251980) is ditert-butyl-[[3-(ditert-butylphosphinimylmethyl)phenyl]methyl]-imino-lambda5-phosphane.
What is the SMILES notation for ditert-butyl-[[3-(ditert-butylphosphinimylmethyl)phenyl]methyl]-imino-lambda5-phosphane?
The canonical SMILES for ditert-butyl-[[3-(ditert-butylphosphinimylmethyl)phenyl]methyl]-imino-lambda5-phosphane is [H]N=P(Cc1cccc(CP(=N[H])(C(C)(C)C)C(C)(C)C)c1)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of ditert-butyl-[[3-(ditert-butylphosphinimylmethyl)phenyl]methyl]-imino-lambda5-phosphane?
The InChIKey is ZNIWQZQZYFLPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N2P2/c1-21(2,3)27(25,22(4,5)6)17-19-14-13-15-20(16-19)18-28(26,23(7,8)9)24(10,11)12/h13-16,25-26H,17-18H2,1-12H3.
What are the key properties of ditert-butyl-[[3-(ditert-butylphosphinimylmethyl)phenyl]methyl]-imino-lambda5-phosphane?
ditert-butyl-[[3-(ditert-butylphosphinimylmethyl)phenyl]methyl]-imino-lambda5-phosphane has a molecular weight of 424.59 g/mol, XLogP of 9.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-[[3-(ditert-butylphosphinimylmethyl)phenyl]methyl]-imino-lambda5-phosphane is sourced from PubChem (CID 5251980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).