N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]tricosan-12-amine

C83H147NP2Si4 — CID 177177807

IUPACN,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]tricosan-12-amine
SMILESCCCCCCCCCCCC(CCCCCCCCCCC)N(P(c1ccc([Si](CCC)(CCC)CCC)cc1)c1ccc([Si](CCC)(CCC)CCC)cc1)P(c1ccc([Si](CCC)(CCC)CCC)cc1)c1ccc([Si](CCC)(CCC)CCC)cc1
InChIInChI=1S/C83H147NP2Si4/c1-15-29-31-33-35-37-39-41-43-45-75(46-44-42-40-38-36-34-32-30-16-2)84(85(76-47-55-80(56-48-76)87(63-17-3,64-18-4)65-19-5)77-49-57-81(58-50-77)88(66-20-6,67-21-7)68-22-8)86(78-51-59-82(60-52-78)89(69-23-9,70-24-10)71-25-11)79-53-61-83(62-54-79)90(72-26-12,73-27-13)74-28-14/h47-62,75H,15-46,63-74H2,1-14H3
InChIKeyUDSGDCSLWNPFCY-UHFFFAOYSA-N
MW1333.39 g/mol
LogP25.14
Rot. Bonds55

About N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]tricosan-12-amine

N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]tricosan-12-amine (PubChem CID 177177807) has the molecular formula C83H147NP2Si4 and a molecular weight of 1333.39 g/mol. Its IUPAC name is N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]tricosan-12-amine.

Molecular Properties

Compound NameN,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]tricosan-12-amine
PubChem CID177177807
Molecular FormulaC83H147NP2Si4
Molecular Weight1333.39 g/mol
Exact Mass1332.01
IUPAC NameN,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]tricosan-12-amine
SMILESCCCCCCCCCCCC(CCCCCCCCCCC)N(P(c1ccc([Si](CCC)(CCC)CCC)cc1)c1ccc([Si](CCC)(CCC)CCC)cc1)P(c1ccc([Si](CCC)(CCC)CCC)cc1)c1ccc([Si](CCC)(CCC)CCC)cc1
InChIInChI=1S/C83H147NP2Si4/c1-15-29-31-33-35-37-39-41-43-45-75(46-44-42-40-38-36-34-32-30-16-2)84(85(76-47-55-80(56-48-76)87(63-17-3,64-18-4)65-19-5)77-49-57-81(58-50-77)88(66-20-6,67-21-7)68-22-8)86(78-51-59-82(60-52-78)89(69-23-9,70-24-10)71-25-11)79-53-61-83(62-54-79)90(72-26-12,73-27-13)74-28-14/h47-62,75H,15-46,63-74H2,1-14H3
InChIKeyUDSGDCSLWNPFCY-UHFFFAOYSA-N
XLogP25.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds55
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001333.39
LogP ≤ 525.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N,N-bis[bis(3-tripropylsilylphenyl)phosphanyl]tricosan-12-amine
CID 177177817
N,N-bis[bis(4-decylphenyl)phosphanyl]-4-tripropylsilylaniline
CID 172633994
N-bis(3-tributylsilylphenyl)phosphanyl-N-bis(4-tributylsilylphenyl)phosphanylpropan-2-amine
CID 171491214
N-bis(3-tripropylsilylphenyl)phosphanyl-N-bis(4-tripropylsilylphenyl)phosphanyl-3-methylbutan-2-amine
CID 171491139
N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]aniline
CID 172633992
N,N-bis[bis(4-decylphenyl)phosphanyl]-4-tributylsilylaniline
CID 172634038
chloro-bis(4-tributylsilylphenyl)phosphane
CID 155668506
N-bis(4-tributylsilylphenyl)phosphanyl-N-bis(3-tripropylsilylphenyl)phosphanylcyclopentanamine
CID 171491143
N,N-bis[bis(4-cyclohexylphenyl)phosphanyl]-4-tributylsilylaniline
CID 172633998
(4-bromophenyl)-tributylsilane
CID 154208001
N-nonadecan-10-yl-N-phenylaniline
CID 175110004
(10R)-N,N-dimethylheptacosan-10-amine
CID 134549801

Frequently Asked Questions

What is the IUPAC name of N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]tricosan-12-amine?
The IUPAC name of N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]tricosan-12-amine (CID 177177807) is N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]tricosan-12-amine.
What is the SMILES notation for N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]tricosan-12-amine?
The canonical SMILES for N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]tricosan-12-amine is CCCCCCCCCCCC(CCCCCCCCCCC)N(P(c1ccc([Si](CCC)(CCC)CCC)cc1)c1ccc([Si](CCC)(CCC)CCC)cc1)P(c1ccc([Si](CCC)(CCC)CCC)cc1)c1ccc([Si](CCC)(CCC)CCC)cc1.
What is the InChIKey of N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]tricosan-12-amine?
The InChIKey is UDSGDCSLWNPFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H147NP2Si4/c1-15-29-31-33-35-37-39-41-43-45-75(46-44-42-40-38-36-34-32-30-16-2)84(85(76-47-55-80(56-48-76)87(63-17-3,64-18-4)65-19-5)77-49-57-81(58-50-77)88(66-20-6,67-21-7)68-22-8)86(78-51-59-82(60-52-78)89(69-23-9,70-24-10)71-25-11)79-53-61-83(62-54-79)90(72-26-12,73-27-13)74-28-14/h47-62,75H,15-46,63-74H2,1-14H3.
What are the key properties of N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]tricosan-12-amine?
N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]tricosan-12-amine has a molecular weight of 1333.39 g/mol, XLogP of 25.14, 55 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]tricosan-12-amine is sourced from PubChem (CID 177177807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).