ditert-butyl-[2-(dipyridin-2-ylphosphanylmethyl)-5-trimethylsilylphenyl]phosphane

C28H40N2P2Si — CID 87343468

IUPACditert-butyl-[2-(dipyridin-2-ylphosphanylmethyl)-5-trimethylsilylphenyl]phosphane
SMILESCC(C)(C)P(c1cc([Si](C)(C)C)ccc1CP(c1ccccn1)c1ccccn1)C(C)(C)C
InChIInChI=1S/C28H40N2P2Si/c1-27(2,3)32(28(4,5)6)24-20-23(33(7,8)9)17-16-22(24)21-31(25-14-10-12-18-29-25)26-15-11-13-19-30-26/h10-20H,21H2,1-9H3
InChIKeyHFXDMXKQKPFWAI-UHFFFAOYSA-N
MW494.68 g/mol
LogP6.36
Rot. Bonds6

About ditert-butyl-[2-(dipyridin-2-ylphosphanylmethyl)-5-trimethylsilylphenyl]phosphane

ditert-butyl-[2-(dipyridin-2-ylphosphanylmethyl)-5-trimethylsilylphenyl]phosphane (PubChem CID 87343468) has the molecular formula C28H40N2P2Si and a molecular weight of 494.68 g/mol. Its IUPAC name is ditert-butyl-[2-(dipyridin-2-ylphosphanylmethyl)-5-trimethylsilylphenyl]phosphane.

Molecular Properties

Compound Nameditert-butyl-[2-(dipyridin-2-ylphosphanylmethyl)-5-trimethylsilylphenyl]phosphane
PubChem CID87343468
Molecular FormulaC28H40N2P2Si
Molecular Weight494.68 g/mol
Exact Mass494.24
IUPAC Nameditert-butyl-[2-(dipyridin-2-ylphosphanylmethyl)-5-trimethylsilylphenyl]phosphane
SMILESCC(C)(C)P(c1cc([Si](C)(C)C)ccc1CP(c1ccccn1)c1ccccn1)C(C)(C)C
InChIInChI=1S/C28H40N2P2Si/c1-27(2,3)32(28(4,5)6)24-20-23(33(7,8)9)17-16-22(24)21-31(25-14-10-12-18-29-25)26-15-11-13-19-30-26/h10-20H,21H2,1-9H3
InChIKeyHFXDMXKQKPFWAI-UHFFFAOYSA-N
XLogP6.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.68
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ditert-butyl-[2-(dipyridin-2-ylphosphanylmethyl)-5-trimethylsilylphenyl]phosphane?
The IUPAC name of ditert-butyl-[2-(dipyridin-2-ylphosphanylmethyl)-5-trimethylsilylphenyl]phosphane (CID 87343468) is ditert-butyl-[2-(dipyridin-2-ylphosphanylmethyl)-5-trimethylsilylphenyl]phosphane.
What is the SMILES notation for ditert-butyl-[2-(dipyridin-2-ylphosphanylmethyl)-5-trimethylsilylphenyl]phosphane?
The canonical SMILES for ditert-butyl-[2-(dipyridin-2-ylphosphanylmethyl)-5-trimethylsilylphenyl]phosphane is CC(C)(C)P(c1cc([Si](C)(C)C)ccc1CP(c1ccccn1)c1ccccn1)C(C)(C)C.
What is the InChIKey of ditert-butyl-[2-(dipyridin-2-ylphosphanylmethyl)-5-trimethylsilylphenyl]phosphane?
The InChIKey is HFXDMXKQKPFWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N2P2Si/c1-27(2,3)32(28(4,5)6)24-20-23(33(7,8)9)17-16-22(24)21-31(25-14-10-12-18-29-25)26-15-11-13-19-30-26/h10-20H,21H2,1-9H3.
What are the key properties of ditert-butyl-[2-(dipyridin-2-ylphosphanylmethyl)-5-trimethylsilylphenyl]phosphane?
ditert-butyl-[2-(dipyridin-2-ylphosphanylmethyl)-5-trimethylsilylphenyl]phosphane has a molecular weight of 494.68 g/mol, XLogP of 6.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-[2-(dipyridin-2-ylphosphanylmethyl)-5-trimethylsilylphenyl]phosphane is sourced from PubChem (CID 87343468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).