ditert-butyl-[[2-[phosphanyl-di(pyrrolidin-3-yl)methyl]-4,5-bis(trimethylsilyl)phenyl]methyl]phosphane

C30H58N2P2Si2 — CID 140667800

IUPACditert-butyl-[[2-[phosphanyl-di(pyrrolidin-3-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)(C1CCNC1)C1CCNC1)C(C)(C)C
InChIInChI=1S/C30H58N2P2Si2/c1-28(2,3)34(29(4,5)6)21-22-17-26(35(7,8)9)27(36(10,11)12)18-25(22)30(33,23-13-15-31-19-23)24-14-16-32-20-24/h17-18,23-24,31-32H,13-16,19-21,33H2,1-12H3
InChIKeyUJOOZPAKGYHYOD-UHFFFAOYSA-N
MW564.93 g/mol
LogP6.65
Rot. Bonds7

About ditert-butyl-[[2-[phosphanyl-di(pyrrolidin-3-yl)methyl]-4,5-bis(trimethylsilyl)phenyl]methyl]phosphane

ditert-butyl-[[2-[phosphanyl-di(pyrrolidin-3-yl)methyl]-4,5-bis(trimethylsilyl)phenyl]methyl]phosphane (PubChem CID 140667800) has the molecular formula C30H58N2P2Si2 and a molecular weight of 564.93 g/mol. Its IUPAC name is ditert-butyl-[[2-[phosphanyl-di(pyrrolidin-3-yl)methyl]-4,5-bis(trimethylsilyl)phenyl]methyl]phosphane.

Molecular Properties

Compound Nameditert-butyl-[[2-[phosphanyl-di(pyrrolidin-3-yl)methyl]-4,5-bis(trimethylsilyl)phenyl]methyl]phosphane
PubChem CID140667800
Molecular FormulaC30H58N2P2Si2
Molecular Weight564.93 g/mol
Exact Mass564.36
IUPAC Nameditert-butyl-[[2-[phosphanyl-di(pyrrolidin-3-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)(C1CCNC1)C1CCNC1)C(C)(C)C
InChIInChI=1S/C30H58N2P2Si2/c1-28(2,3)34(29(4,5)6)21-22-17-26(35(7,8)9)27(36(10,11)12)18-25(22)30(33,23-13-15-31-19-23)24-14-16-32-20-24/h17-18,23-24,31-32H,13-16,19-21,33H2,1-12H3
InChIKeyUJOOZPAKGYHYOD-UHFFFAOYSA-N
XLogP6.65
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.93
LogP ≤ 56.65
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'}

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Frequently Asked Questions

What is the IUPAC name of ditert-butyl-[[2-[phosphanyl-di(pyrrolidin-3-yl)methyl]-4,5-bis(trimethylsilyl)phenyl]methyl]phosphane?
The IUPAC name of ditert-butyl-[[2-[phosphanyl-di(pyrrolidin-3-yl)methyl]-4,5-bis(trimethylsilyl)phenyl]methyl]phosphane (CID 140667800) is ditert-butyl-[[2-[phosphanyl-di(pyrrolidin-3-yl)methyl]-4,5-bis(trimethylsilyl)phenyl]methyl]phosphane.
What is the SMILES notation for ditert-butyl-[[2-[phosphanyl-di(pyrrolidin-3-yl)methyl]-4,5-bis(trimethylsilyl)phenyl]methyl]phosphane?
The canonical SMILES for ditert-butyl-[[2-[phosphanyl-di(pyrrolidin-3-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)(C1CCNC1)C1CCNC1)C(C)(C)C.
What is the InChIKey of ditert-butyl-[[2-[phosphanyl-di(pyrrolidin-3-yl)methyl]-4,5-bis(trimethylsilyl)phenyl]methyl]phosphane?
The InChIKey is UJOOZPAKGYHYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H58N2P2Si2/c1-28(2,3)34(29(4,5)6)21-22-17-26(35(7,8)9)27(36(10,11)12)18-25(22)30(33,23-13-15-31-19-23)24-14-16-32-20-24/h17-18,23-24,31-32H,13-16,19-21,33H2,1-12H3.
What are the key properties of ditert-butyl-[[2-[phosphanyl-di(pyrrolidin-3-yl)methyl]-4,5-bis(trimethylsilyl)phenyl]methyl]phosphane?
ditert-butyl-[[2-[phosphanyl-di(pyrrolidin-3-yl)methyl]-4,5-bis(trimethylsilyl)phenyl]methyl]phosphane has a molecular weight of 564.93 g/mol, XLogP of 6.65, 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(pyrrolidin-3-yl)methyl]-4,5-bis(trimethylsilyl)phenyl]methyl]phosphane is sourced from PubChem (CID 140667800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).