N-bis(4-tributylsilylphenyl)phosphanyl-N-[(2-trimethylsilylphenyl)-(4-trimethylsilylphenyl)phosphanyl]butan-1-amine

C58H97NP2Si4 — CID 176550922

IUPACN-bis(4-tributylsilylphenyl)phosphanyl-N-[(2-trimethylsilylphenyl)-(4-trimethylsilylphenyl)phosphanyl]butan-1-amine
SMILESCCCCN(P(c1ccc([Si](CCCC)(CCCC)CCCC)cc1)c1ccc([Si](CCCC)(CCCC)CCCC)cc1)P(c1ccc([Si](C)(C)C)cc1)c1ccccc1[Si](C)(C)C
InChIInChI=1S/C58H97NP2Si4/c1-14-21-44-59(61(53-32-38-54(39-33-53)62(8,9)10)57-30-28-29-31-58(57)63(11,12)13)60(51-34-40-55(41-35-51)64(45-22-15-2,46-23-16-3)47-24-17-4)52-36-42-56(43-37-52)65(48-25-18-5,49-26-19-6)50-27-20-7/h28-43H,14-27,44-50H2,1-13H3
InChIKeyWODWDERDAYNWQF-UHFFFAOYSA-N
MW982.71 g/mol
LogP15.39
Rot. Bonds31

About N-bis(4-tributylsilylphenyl)phosphanyl-N-[(2-trimethylsilylphenyl)-(4-trimethylsilylphenyl)phosphanyl]butan-1-amine

N-bis(4-tributylsilylphenyl)phosphanyl-N-[(2-trimethylsilylphenyl)-(4-trimethylsilylphenyl)phosphanyl]butan-1-amine (PubChem CID 176550922) has the molecular formula C58H97NP2Si4 and a molecular weight of 982.71 g/mol. Its IUPAC name is N-bis(4-tributylsilylphenyl)phosphanyl-N-[(2-trimethylsilylphenyl)-(4-trimethylsilylphenyl)phosphanyl]butan-1-amine.

Molecular Properties

Compound NameN-bis(4-tributylsilylphenyl)phosphanyl-N-[(2-trimethylsilylphenyl)-(4-trimethylsilylphenyl)phosphanyl]butan-1-amine
PubChem CID176550922
Molecular FormulaC58H97NP2Si4
Molecular Weight982.71 g/mol
Exact Mass981.62
IUPAC NameN-bis(4-tributylsilylphenyl)phosphanyl-N-[(2-trimethylsilylphenyl)-(4-trimethylsilylphenyl)phosphanyl]butan-1-amine
SMILESCCCCN(P(c1ccc([Si](CCCC)(CCCC)CCCC)cc1)c1ccc([Si](CCCC)(CCCC)CCCC)cc1)P(c1ccc([Si](C)(C)C)cc1)c1ccccc1[Si](C)(C)C
InChIInChI=1S/C58H97NP2Si4/c1-14-21-44-59(61(53-32-38-54(39-33-53)62(8,9)10)57-30-28-29-31-58(57)63(11,12)13)60(51-34-40-55(41-35-51)64(45-22-15-2,46-23-16-3)47-24-17-4)52-36-42-56(43-37-52)65(48-25-18-5,49-26-19-6)50-27-20-7/h28-43H,14-27,44-50H2,1-13H3
InChIKeyWODWDERDAYNWQF-UHFFFAOYSA-N
XLogP15.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds31
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500982.71
LogP ≤ 515.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N-bis(4-tributylsilylphenyl)phosphanyl-N-[(2-trimethylsilylphenyl)-(4-trimethylsilylphenyl)phosphanyl]butan-1-amine?
The IUPAC name of N-bis(4-tributylsilylphenyl)phosphanyl-N-[(2-trimethylsilylphenyl)-(4-trimethylsilylphenyl)phosphanyl]butan-1-amine (CID 176550922) is N-bis(4-tributylsilylphenyl)phosphanyl-N-[(2-trimethylsilylphenyl)-(4-trimethylsilylphenyl)phosphanyl]butan-1-amine.
What is the SMILES notation for N-bis(4-tributylsilylphenyl)phosphanyl-N-[(2-trimethylsilylphenyl)-(4-trimethylsilylphenyl)phosphanyl]butan-1-amine?
The canonical SMILES for N-bis(4-tributylsilylphenyl)phosphanyl-N-[(2-trimethylsilylphenyl)-(4-trimethylsilylphenyl)phosphanyl]butan-1-amine is CCCCN(P(c1ccc([Si](CCCC)(CCCC)CCCC)cc1)c1ccc([Si](CCCC)(CCCC)CCCC)cc1)P(c1ccc([Si](C)(C)C)cc1)c1ccccc1[Si](C)(C)C.
What is the InChIKey of N-bis(4-tributylsilylphenyl)phosphanyl-N-[(2-trimethylsilylphenyl)-(4-trimethylsilylphenyl)phosphanyl]butan-1-amine?
The InChIKey is WODWDERDAYNWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H97NP2Si4/c1-14-21-44-59(61(53-32-38-54(39-33-53)62(8,9)10)57-30-28-29-31-58(57)63(11,12)13)60(51-34-40-55(41-35-51)64(45-22-15-2,46-23-16-3)47-24-17-4)52-36-42-56(43-37-52)65(48-25-18-5,49-26-19-6)50-27-20-7/h28-43H,14-27,44-50H2,1-13H3.
What are the key properties of N-bis(4-tributylsilylphenyl)phosphanyl-N-[(2-trimethylsilylphenyl)-(4-trimethylsilylphenyl)phosphanyl]butan-1-amine?
N-bis(4-tributylsilylphenyl)phosphanyl-N-[(2-trimethylsilylphenyl)-(4-trimethylsilylphenyl)phosphanyl]butan-1-amine has a molecular weight of 982.71 g/mol, XLogP of 15.39, 31 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(4-tributylsilylphenyl)phosphanyl-N-[(2-trimethylsilylphenyl)-(4-trimethylsilylphenyl)phosphanyl]butan-1-amine is sourced from PubChem (CID 176550922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).