N-bis(3-tripropylsilylphenyl)phosphanyl-N-bis(4-tripropylsilylphenyl)phosphanyl-3-methylbutan-2-amine

C65H111NP2Si4 — CID 171491139

IUPACN-bis(3-tripropylsilylphenyl)phosphanyl-N-bis(4-tripropylsilylphenyl)phosphanyl-3-methylbutan-2-amine
SMILESCCC[Si](CCC)(CCC)c1ccc(P(c2ccc([Si](CCC)(CCC)CCC)cc2)N(C(C)C(C)C)P(c2cccc([Si](CCC)(CCC)CCC)c2)c2cccc([Si](CCC)(CCC)CCC)c2)cc1
InChIInChI=1S/C65H111NP2Si4/c1-16-42-69(43-17-2,44-18-3)62-38-34-58(35-39-62)67(59-36-40-63(41-37-59)70(45-19-4,46-20-5)47-21-6)66(57(15)56(13)14)68(60-30-28-32-64(54-60)71(48-22-7,49-23-8)50-24-9)61-31-29-33-65(55-61)72(51-25-10,52-26-11)53-27-12/h28-41,54-57H,16-27,42-53H2,1-15H3
InChIKeyWRAICQBNOOOAPE-UHFFFAOYSA-N
MW1080.90 g/mol
LogP17.97
Rot. Bonds36

About N-bis(3-tripropylsilylphenyl)phosphanyl-N-bis(4-tripropylsilylphenyl)phosphanyl-3-methylbutan-2-amine

N-bis(3-tripropylsilylphenyl)phosphanyl-N-bis(4-tripropylsilylphenyl)phosphanyl-3-methylbutan-2-amine (PubChem CID 171491139) has the molecular formula C65H111NP2Si4 and a molecular weight of 1080.90 g/mol. Its IUPAC name is N-bis(3-tripropylsilylphenyl)phosphanyl-N-bis(4-tripropylsilylphenyl)phosphanyl-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-bis(3-tripropylsilylphenyl)phosphanyl-N-bis(4-tripropylsilylphenyl)phosphanyl-3-methylbutan-2-amine
PubChem CID171491139
Molecular FormulaC65H111NP2Si4
Molecular Weight1080.90 g/mol
Exact Mass1079.73
IUPAC NameN-bis(3-tripropylsilylphenyl)phosphanyl-N-bis(4-tripropylsilylphenyl)phosphanyl-3-methylbutan-2-amine
SMILESCCC[Si](CCC)(CCC)c1ccc(P(c2ccc([Si](CCC)(CCC)CCC)cc2)N(C(C)C(C)C)P(c2cccc([Si](CCC)(CCC)CCC)c2)c2cccc([Si](CCC)(CCC)CCC)c2)cc1
InChIInChI=1S/C65H111NP2Si4/c1-16-42-69(43-17-2,44-18-3)62-38-34-58(35-39-62)67(59-36-40-63(41-37-59)70(45-19-4,46-20-5)47-21-6)66(57(15)56(13)14)68(60-30-28-32-64(54-60)71(48-22-7,49-23-8)50-24-9)61-31-29-33-65(55-61)72(51-25-10,52-26-11)53-27-12/h28-41,54-57H,16-27,42-53H2,1-15H3
InChIKeyWRAICQBNOOOAPE-UHFFFAOYSA-N
XLogP17.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds36
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001080.90
LogP ≤ 517.97
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(3-tripropylsilylphenyl)phosphanyl-N-bis(4-tripropylsilylphenyl)phosphanyl-3-methylbutan-2-amine?
The IUPAC name of N-bis(3-tripropylsilylphenyl)phosphanyl-N-bis(4-tripropylsilylphenyl)phosphanyl-3-methylbutan-2-amine (CID 171491139) is N-bis(3-tripropylsilylphenyl)phosphanyl-N-bis(4-tripropylsilylphenyl)phosphanyl-3-methylbutan-2-amine.
What is the SMILES notation for N-bis(3-tripropylsilylphenyl)phosphanyl-N-bis(4-tripropylsilylphenyl)phosphanyl-3-methylbutan-2-amine?
The canonical SMILES for N-bis(3-tripropylsilylphenyl)phosphanyl-N-bis(4-tripropylsilylphenyl)phosphanyl-3-methylbutan-2-amine is CCC[Si](CCC)(CCC)c1ccc(P(c2ccc([Si](CCC)(CCC)CCC)cc2)N(C(C)C(C)C)P(c2cccc([Si](CCC)(CCC)CCC)c2)c2cccc([Si](CCC)(CCC)CCC)c2)cc1.
What is the InChIKey of N-bis(3-tripropylsilylphenyl)phosphanyl-N-bis(4-tripropylsilylphenyl)phosphanyl-3-methylbutan-2-amine?
The InChIKey is WRAICQBNOOOAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H111NP2Si4/c1-16-42-69(43-17-2,44-18-3)62-38-34-58(35-39-62)67(59-36-40-63(41-37-59)70(45-19-4,46-20-5)47-21-6)66(57(15)56(13)14)68(60-30-28-32-64(54-60)71(48-22-7,49-23-8)50-24-9)61-31-29-33-65(55-61)72(51-25-10,52-26-11)53-27-12/h28-41,54-57H,16-27,42-53H2,1-15H3.
What are the key properties of N-bis(3-tripropylsilylphenyl)phosphanyl-N-bis(4-tripropylsilylphenyl)phosphanyl-3-methylbutan-2-amine?
N-bis(3-tripropylsilylphenyl)phosphanyl-N-bis(4-tripropylsilylphenyl)phosphanyl-3-methylbutan-2-amine has a molecular weight of 1080.90 g/mol, XLogP of 17.97, 36 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(3-tripropylsilylphenyl)phosphanyl-N-bis(4-tripropylsilylphenyl)phosphanyl-3-methylbutan-2-amine is sourced from PubChem (CID 171491139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).