3-[phenyl-[3-[phenyl-[3-(trimethylsilylamino)phenyl]phosphanyl]propyl]phosphanyl]-N-trimethylsilylaniline

C33H44N2P2Si2 — CID 10698579

IUPAC3-[phenyl-[3-[phenyl-[3-(trimethylsilylamino)phenyl]phosphanyl]propyl]phosphanyl]-N-trimethylsilylaniline
SMILESC[Si](C)(C)Nc1cccc(P(CCCP(c2ccccc2)c2cccc(N[Si](C)(C)C)c2)c2ccccc2)c1
InChIInChI=1S/C33H44N2P2Si2/c1-38(2,3)34-28-16-13-22-32(26-28)36(30-18-9-7-10-19-30)24-15-25-37(31-20-11-8-12-21-31)33-23-14-17-29(27-33)35-39(4,5)6/h7-14,16-23,26-27,34-35H,15,24-25H2,1-6H3
InChIKeySBEFUPNHAUBQST-UHFFFAOYSA-N
MW586.85 g/mol
LogP8.14
Rot. Bonds12

About 3-[phenyl-[3-[phenyl-[3-(trimethylsilylamino)phenyl]phosphanyl]propyl]phosphanyl]-N-trimethylsilylaniline

3-[phenyl-[3-[phenyl-[3-(trimethylsilylamino)phenyl]phosphanyl]propyl]phosphanyl]-N-trimethylsilylaniline (PubChem CID 10698579) has the molecular formula C33H44N2P2Si2 and a molecular weight of 586.85 g/mol. Its IUPAC name is 3-[phenyl-[3-[phenyl-[3-(trimethylsilylamino)phenyl]phosphanyl]propyl]phosphanyl]-N-trimethylsilylaniline.

Molecular Properties

Compound Name3-[phenyl-[3-[phenyl-[3-(trimethylsilylamino)phenyl]phosphanyl]propyl]phosphanyl]-N-trimethylsilylaniline
PubChem CID10698579
Molecular FormulaC33H44N2P2Si2
Molecular Weight586.85 g/mol
Exact Mass586.25
IUPAC Name3-[phenyl-[3-[phenyl-[3-(trimethylsilylamino)phenyl]phosphanyl]propyl]phosphanyl]-N-trimethylsilylaniline
SMILESC[Si](C)(C)Nc1cccc(P(CCCP(c2ccccc2)c2cccc(N[Si](C)(C)C)c2)c2ccccc2)c1
InChIInChI=1S/C33H44N2P2Si2/c1-38(2,3)34-28-16-13-22-32(26-28)36(30-18-9-7-10-19-30)24-15-25-37(31-20-11-8-12-21-31)33-23-14-17-29(27-33)35-39(4,5)6/h7-14,16-23,26-27,34-35H,15,24-25H2,1-6H3
InChIKeySBEFUPNHAUBQST-UHFFFAOYSA-N
XLogP8.14
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.85
LogP ≤ 58.14
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 3-[phenyl-[3-[phenyl-[3-(trimethylsilylamino)phenyl]phosphanyl]propyl]phosphanyl]-N-trimethylsilylaniline?
The IUPAC name of 3-[phenyl-[3-[phenyl-[3-(trimethylsilylamino)phenyl]phosphanyl]propyl]phosphanyl]-N-trimethylsilylaniline (CID 10698579) is 3-[phenyl-[3-[phenyl-[3-(trimethylsilylamino)phenyl]phosphanyl]propyl]phosphanyl]-N-trimethylsilylaniline.
What is the SMILES notation for 3-[phenyl-[3-[phenyl-[3-(trimethylsilylamino)phenyl]phosphanyl]propyl]phosphanyl]-N-trimethylsilylaniline?
The canonical SMILES for 3-[phenyl-[3-[phenyl-[3-(trimethylsilylamino)phenyl]phosphanyl]propyl]phosphanyl]-N-trimethylsilylaniline is C[Si](C)(C)Nc1cccc(P(CCCP(c2ccccc2)c2cccc(N[Si](C)(C)C)c2)c2ccccc2)c1.
What is the InChIKey of 3-[phenyl-[3-[phenyl-[3-(trimethylsilylamino)phenyl]phosphanyl]propyl]phosphanyl]-N-trimethylsilylaniline?
The InChIKey is SBEFUPNHAUBQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44N2P2Si2/c1-38(2,3)34-28-16-13-22-32(26-28)36(30-18-9-7-10-19-30)24-15-25-37(31-20-11-8-12-21-31)33-23-14-17-29(27-33)35-39(4,5)6/h7-14,16-23,26-27,34-35H,15,24-25H2,1-6H3.
What are the key properties of 3-[phenyl-[3-[phenyl-[3-(trimethylsilylamino)phenyl]phosphanyl]propyl]phosphanyl]-N-trimethylsilylaniline?
3-[phenyl-[3-[phenyl-[3-(trimethylsilylamino)phenyl]phosphanyl]propyl]phosphanyl]-N-trimethylsilylaniline has a molecular weight of 586.85 g/mol, XLogP of 8.14, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[phenyl-[3-[phenyl-[3-(trimethylsilylamino)phenyl]phosphanyl]propyl]phosphanyl]-N-trimethylsilylaniline is sourced from PubChem (CID 10698579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).