ditert-butyl-[[2-[phosphanyl-di(piperidin-2-yl)methyl]-4,5-bis(trimethylsilyl)phenyl]methyl]phosphane

C32H62N2P2Si2 — CID 140667826

IUPACditert-butyl-[[2-[phosphanyl-di(piperidin-2-yl)methyl]-4,5-bis(trimethylsilyl)phenyl]methyl]phosphane
SMILESCC(C)(C)P(Cc1cc([Si](C)(C)C)c([Si](C)(C)C)cc1C(P)(C1CCCCN1)C1CCCCN1)C(C)(C)C
InChIInChI=1S/C32H62N2P2Si2/c1-30(2,3)36(31(4,5)6)23-24-21-26(37(7,8)9)27(38(10,11)12)22-25(24)32(35,28-17-13-15-19-33-28)29-18-14-16-20-34-29/h21-22,28-29,33-34H,13-20,23,35H2,1-12H3
InChIKeyZUHZXMYYIQTCAK-UHFFFAOYSA-N
MW592.98 g/mol
LogP7.71
Rot. Bonds7

About ditert-butyl-[[2-[phosphanyl-di(piperidin-2-yl)methyl]-4,5-bis(trimethylsilyl)phenyl]methyl]phosphane

ditert-butyl-[[2-[phosphanyl-di(piperidin-2-yl)methyl]-4,5-bis(trimethylsilyl)phenyl]methyl]phosphane (PubChem CID 140667826) has the molecular formula C32H62N2P2Si2 and a molecular weight of 592.98 g/mol. Its IUPAC name is ditert-butyl-[[2-[phosphanyl-di(piperidin-2-yl)methyl]-4,5-bis(trimethylsilyl)phenyl]methyl]phosphane.

Molecular Properties

Compound Nameditert-butyl-[[2-[phosphanyl-di(piperidin-2-yl)methyl]-4,5-bis(trimethylsilyl)phenyl]methyl]phosphane
PubChem CID140667826
Molecular FormulaC32H62N2P2Si2
Molecular Weight592.98 g/mol
Exact Mass592.39
IUPAC Nameditert-butyl-[[2-[phosphanyl-di(piperidin-2-yl)methyl]-4,5-bis(trimethylsilyl)phenyl]methyl]phosphane
SMILESCC(C)(C)P(Cc1cc([Si](C)(C)C)c([Si](C)(C)C)cc1C(P)(C1CCCCN1)C1CCCCN1)C(C)(C)C
InChIInChI=1S/C32H62N2P2Si2/c1-30(2,3)36(31(4,5)6)23-24-21-26(37(7,8)9)27(38(10,11)12)22-25(24)32(35,28-17-13-15-19-33-28)29-18-14-16-20-34-29/h21-22,28-29,33-34H,13-20,23,35H2,1-12H3
InChIKeyZUHZXMYYIQTCAK-UHFFFAOYSA-N
XLogP7.71
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.98
LogP ≤ 57.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ditert-butyl-[[2-[phosphanyl-di(piperidin-2-yl)methyl]-4,5-bis(trimethylsilyl)phenyl]methyl]phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(1-adamantyl)-[[2-[phosphanyl-di(pyrrolidin-2-yl)methyl]-4,5-bis(trimethylsilyl)phenyl]methyl]phosphane
CID 140667836
bis(1-adamantyl)-[[2-[bis(1,3-diazinan-2-yl)-phosphanylmethyl]-4,5-bis(trimethylsilyl)phenyl]methyl]phosphane
CID 140667851
2-(2-methylbutan-2-yl)piperidine
CID 118553273
2-piperidin-2-ylpropan-2-amine
CID 55284786
2-(2-methylbutan-2-yl)azepane
CID 62677449
2-(1-cyclopentyl-1-fluoroethyl)piperidine
CID 105452461
cyclopenta-1,3-diene;ditert-butyl-[[2-[phosphanyl-di(piperazin-2-yl)methyl]cyclopenta-1,4-dien-1-yl]methyl]phosphane;iron(2+)
CID 159688482
2-[1-fluoro-1-(2-methylphenyl)ethyl]piperidine
CID 84724881
2-(2-fluoro-1-phenylpropan-2-yl)piperidine
CID 83853698
5-methyl-3-(2-pyrrolidin-2-ylpropan-2-yl)-1,2-oxazole
CID 83907737
2-piperidin-2-ylpropan-2-yl formate
CID 18700209
1-(5-methylthiophen-2-yl)-1-piperidin-2-ylethanol
CID 114910656

Frequently Asked Questions

What is the IUPAC name of ditert-butyl-[[2-[phosphanyl-di(piperidin-2-yl)methyl]-4,5-bis(trimethylsilyl)phenyl]methyl]phosphane?
The IUPAC name of ditert-butyl-[[2-[phosphanyl-di(piperidin-2-yl)methyl]-4,5-bis(trimethylsilyl)phenyl]methyl]phosphane (CID 140667826) is ditert-butyl-[[2-[phosphanyl-di(piperidin-2-yl)methyl]-4,5-bis(trimethylsilyl)phenyl]methyl]phosphane.
What is the SMILES notation for ditert-butyl-[[2-[phosphanyl-di(piperidin-2-yl)methyl]-4,5-bis(trimethylsilyl)phenyl]methyl]phosphane?
The canonical SMILES for ditert-butyl-[[2-[phosphanyl-di(piperidin-2-yl)methyl]-4,5-bis(trimethylsilyl)phenyl]methyl]phosphane is CC(C)(C)P(Cc1cc([Si](C)(C)C)c([Si](C)(C)C)cc1C(P)(C1CCCCN1)C1CCCCN1)C(C)(C)C.
What is the InChIKey of ditert-butyl-[[2-[phosphanyl-di(piperidin-2-yl)methyl]-4,5-bis(trimethylsilyl)phenyl]methyl]phosphane?
The InChIKey is ZUHZXMYYIQTCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H62N2P2Si2/c1-30(2,3)36(31(4,5)6)23-24-21-26(37(7,8)9)27(38(10,11)12)22-25(24)32(35,28-17-13-15-19-33-28)29-18-14-16-20-34-29/h21-22,28-29,33-34H,13-20,23,35H2,1-12H3.
What are the key properties of ditert-butyl-[[2-[phosphanyl-di(piperidin-2-yl)methyl]-4,5-bis(trimethylsilyl)phenyl]methyl]phosphane?
ditert-butyl-[[2-[phosphanyl-di(piperidin-2-yl)methyl]-4,5-bis(trimethylsilyl)phenyl]methyl]phosphane has a molecular weight of 592.98 g/mol, XLogP of 7.71, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-[[2-[phosphanyl-di(piperidin-2-yl)methyl]-4,5-bis(trimethylsilyl)phenyl]methyl]phosphane is sourced from PubChem (CID 140667826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).