N-bis(3-tributylsilylphenyl)phosphanyl-N-bis(4-tributylsilylphenyl)phosphanylpropan-2-amine

C75H131NP2Si4 — CID 171491214

IUPACN-bis(3-tributylsilylphenyl)phosphanyl-N-bis(4-tributylsilylphenyl)phosphanylpropan-2-amine
SMILESCCCC[Si](CCCC)(CCCC)c1ccc(P(c2ccc([Si](CCCC)(CCCC)CCCC)cc2)N(C(C)C)P(c2cccc([Si](CCCC)(CCCC)CCCC)c2)c2cccc([Si](CCCC)(CCCC)CCCC)c2)cc1
InChIInChI=1S/C75H131NP2Si4/c1-15-27-53-79(54-28-16-2,55-29-17-3)72-49-45-68(46-50-72)77(69-47-51-73(52-48-69)80(56-30-18-4,57-31-19-5)58-32-20-6)76(67(13)14)78(70-41-39-43-74(65-70)81(59-33-21-7,60-34-22-8)61-35-23-9)71-42-40-44-75(66-71)82(62-36-24-10,63-37-25-11)64-38-26-12/h39-52,65-67H,15-38,53-64H2,1-14H3
InChIKeyXYEKDDXFTVJQCG-UHFFFAOYSA-N
MW1221.17 g/mol
LogP22.02
Rot. Bonds47

About N-bis(3-tributylsilylphenyl)phosphanyl-N-bis(4-tributylsilylphenyl)phosphanylpropan-2-amine

N-bis(3-tributylsilylphenyl)phosphanyl-N-bis(4-tributylsilylphenyl)phosphanylpropan-2-amine (PubChem CID 171491214) has the molecular formula C75H131NP2Si4 and a molecular weight of 1221.17 g/mol. Its IUPAC name is N-bis(3-tributylsilylphenyl)phosphanyl-N-bis(4-tributylsilylphenyl)phosphanylpropan-2-amine.

Molecular Properties

Compound NameN-bis(3-tributylsilylphenyl)phosphanyl-N-bis(4-tributylsilylphenyl)phosphanylpropan-2-amine
PubChem CID171491214
Molecular FormulaC75H131NP2Si4
Molecular Weight1221.17 g/mol
Exact Mass1219.88
IUPAC NameN-bis(3-tributylsilylphenyl)phosphanyl-N-bis(4-tributylsilylphenyl)phosphanylpropan-2-amine
SMILESCCCC[Si](CCCC)(CCCC)c1ccc(P(c2ccc([Si](CCCC)(CCCC)CCCC)cc2)N(C(C)C)P(c2cccc([Si](CCCC)(CCCC)CCCC)c2)c2cccc([Si](CCCC)(CCCC)CCCC)c2)cc1
InChIInChI=1S/C75H131NP2Si4/c1-15-27-53-79(54-28-16-2,55-29-17-3)72-49-45-68(46-50-72)77(69-47-51-73(52-48-69)80(56-30-18-4,57-31-19-5)58-32-20-6)76(67(13)14)78(70-41-39-43-74(65-70)81(59-33-21-7,60-34-22-8)61-35-23-9)71-42-40-44-75(66-71)82(62-36-24-10,63-37-25-11)64-38-26-12/h39-52,65-67H,15-38,53-64H2,1-14H3
InChIKeyXYEKDDXFTVJQCG-UHFFFAOYSA-N
XLogP22.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds47
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001221.17
LogP ≤ 522.02
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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Related Compounds

N-bis(3-tripropylsilylphenyl)phosphanyl-N-bis(4-tripropylsilylphenyl)phosphanyl-3-methylbutan-2-amine
CID 171491139
N-bis(3-tributylsilylphenyl)phosphanyl-N-bis(4-tributylsilylphenyl)phosphanylcyclooctanamine
CID 171491210
N-bis(4-tributylsilylphenyl)phosphanyl-N-bis(3-tripropylsilylphenyl)phosphanylcyclopentanamine
CID 171491143
N,N-bis[bis(3-tripropylsilylphenyl)phosphanyl]tricosan-12-amine
CID 177177817
N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]tricosan-12-amine
CID 177177807
chloro-bis(4-tributylsilylphenyl)phosphane
CID 155668506
N-bis(3-tributylsilylphenyl)phosphanyl-2-phenylethanamine
CID 171491145
N,N-bis[bis(4-decylphenyl)phosphanyl]-4-tributylsilylaniline
CID 172634038
N-bis(4-tributylsilylphenyl)phosphanyl-N-[(2-trimethylsilylphenyl)-(4-trimethylsilylphenyl)phosphanyl]butan-1-amine
CID 176550922
N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]aniline
CID 172633992
(4-bromophenyl)-tributylsilane
CID 154208001
N,N-bis[bis(4-cyclohexylphenyl)phosphanyl]-4-tributylsilylaniline
CID 172633998

Frequently Asked Questions

What is the IUPAC name of N-bis(3-tributylsilylphenyl)phosphanyl-N-bis(4-tributylsilylphenyl)phosphanylpropan-2-amine?
The IUPAC name of N-bis(3-tributylsilylphenyl)phosphanyl-N-bis(4-tributylsilylphenyl)phosphanylpropan-2-amine (CID 171491214) is N-bis(3-tributylsilylphenyl)phosphanyl-N-bis(4-tributylsilylphenyl)phosphanylpropan-2-amine.
What is the SMILES notation for N-bis(3-tributylsilylphenyl)phosphanyl-N-bis(4-tributylsilylphenyl)phosphanylpropan-2-amine?
The canonical SMILES for N-bis(3-tributylsilylphenyl)phosphanyl-N-bis(4-tributylsilylphenyl)phosphanylpropan-2-amine is CCCC[Si](CCCC)(CCCC)c1ccc(P(c2ccc([Si](CCCC)(CCCC)CCCC)cc2)N(C(C)C)P(c2cccc([Si](CCCC)(CCCC)CCCC)c2)c2cccc([Si](CCCC)(CCCC)CCCC)c2)cc1.
What is the InChIKey of N-bis(3-tributylsilylphenyl)phosphanyl-N-bis(4-tributylsilylphenyl)phosphanylpropan-2-amine?
The InChIKey is XYEKDDXFTVJQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H131NP2Si4/c1-15-27-53-79(54-28-16-2,55-29-17-3)72-49-45-68(46-50-72)77(69-47-51-73(52-48-69)80(56-30-18-4,57-31-19-5)58-32-20-6)76(67(13)14)78(70-41-39-43-74(65-70)81(59-33-21-7,60-34-22-8)61-35-23-9)71-42-40-44-75(66-71)82(62-36-24-10,63-37-25-11)64-38-26-12/h39-52,65-67H,15-38,53-64H2,1-14H3.
What are the key properties of N-bis(3-tributylsilylphenyl)phosphanyl-N-bis(4-tributylsilylphenyl)phosphanylpropan-2-amine?
N-bis(3-tributylsilylphenyl)phosphanyl-N-bis(4-tributylsilylphenyl)phosphanylpropan-2-amine has a molecular weight of 1221.17 g/mol, XLogP of 22.02, 47 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(3-tributylsilylphenyl)phosphanyl-N-bis(4-tributylsilylphenyl)phosphanylpropan-2-amine is sourced from PubChem (CID 171491214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).