N,N-bis[bis(3-tripropylsilylphenyl)phosphanyl]tricosan-12-amine

C83H147NP2Si4 — CID 177177817

IUPACN,N-bis[bis(3-tripropylsilylphenyl)phosphanyl]tricosan-12-amine
SMILESCCCCCCCCCCCC(CCCCCCCCCCC)N(P(c1cccc([Si](CCC)(CCC)CCC)c1)c1cccc([Si](CCC)(CCC)CCC)c1)P(c1cccc([Si](CCC)(CCC)CCC)c1)c1cccc([Si](CCC)(CCC)CCC)c1
InChIInChI=1S/C83H147NP2Si4/c1-15-29-31-33-35-37-39-41-43-49-75(50-44-42-40-38-36-34-32-30-16-2)84(85(76-51-45-55-80(71-76)87(59-17-3,60-18-4)61-19-5)77-52-46-56-81(72-77)88(62-20-6,63-21-7)64-22-8)86(78-53-47-57-82(73-78)89(65-23-9,66-24-10)67-25-11)79-54-48-58-83(74-79)90(68-26-12,69-27-13)70-28-14/h45-48,51-58,71-75H,15-44,49-50,59-70H2,1-14H3
InChIKeyNCELPBIIVLLMDC-UHFFFAOYSA-N
MW1333.39 g/mol
LogP25.14
Rot. Bonds55

About N,N-bis[bis(3-tripropylsilylphenyl)phosphanyl]tricosan-12-amine

N,N-bis[bis(3-tripropylsilylphenyl)phosphanyl]tricosan-12-amine (PubChem CID 177177817) has the molecular formula C83H147NP2Si4 and a molecular weight of 1333.39 g/mol. Its IUPAC name is N,N-bis[bis(3-tripropylsilylphenyl)phosphanyl]tricosan-12-amine.

Molecular Properties

Compound NameN,N-bis[bis(3-tripropylsilylphenyl)phosphanyl]tricosan-12-amine
PubChem CID177177817
Molecular FormulaC83H147NP2Si4
Molecular Weight1333.39 g/mol
Exact Mass1332.01
IUPAC NameN,N-bis[bis(3-tripropylsilylphenyl)phosphanyl]tricosan-12-amine
SMILESCCCCCCCCCCCC(CCCCCCCCCCC)N(P(c1cccc([Si](CCC)(CCC)CCC)c1)c1cccc([Si](CCC)(CCC)CCC)c1)P(c1cccc([Si](CCC)(CCC)CCC)c1)c1cccc([Si](CCC)(CCC)CCC)c1
InChIInChI=1S/C83H147NP2Si4/c1-15-29-31-33-35-37-39-41-43-49-75(50-44-42-40-38-36-34-32-30-16-2)84(85(76-51-45-55-80(71-76)87(59-17-3,60-18-4)61-19-5)77-52-46-56-81(72-77)88(62-20-6,63-21-7)64-22-8)86(78-53-47-57-82(73-78)89(65-23-9,66-24-10)67-25-11)79-54-48-58-83(74-79)90(68-26-12,69-27-13)70-28-14/h45-48,51-58,71-75H,15-44,49-50,59-70H2,1-14H3
InChIKeyNCELPBIIVLLMDC-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'}

Analyze N,N-bis[bis(3-tripropylsilylphenyl)phosphanyl]tricosan-12-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]tricosan-12-amine
CID 177177807
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-bis(4-tributylsilylphenyl)phosphanyl-N-bis(3-tripropylsilylphenyl)phosphanylcyclopentanamine
CID 171491143
(3-methylphenyl)-tripropylsilane
CID 101204991
N-nonadecan-10-yl-N-phenylaniline
CID 175110004
N-bis(3-tributylsilylphenyl)phosphanyl-2-phenylethanamine
CID 171491145
N-hexadecan-4-yl-N-phenylaniline
CID 174670846
N,N-bis[bis(4-decylphenyl)phosphanyl]-4-tripropylsilylaniline
CID 172633994
octan-2-yl(diphenyl)phosphane
CID 18359504
N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]aniline
CID 172633992
bis(3-chlorophenyl)-didodecylsilane
CID 3247729

Frequently Asked Questions

What is the IUPAC name of N,N-bis[bis(3-tripropylsilylphenyl)phosphanyl]tricosan-12-amine?
The IUPAC name of N,N-bis[bis(3-tripropylsilylphenyl)phosphanyl]tricosan-12-amine (CID 177177817) is N,N-bis[bis(3-tripropylsilylphenyl)phosphanyl]tricosan-12-amine.
What is the SMILES notation for N,N-bis[bis(3-tripropylsilylphenyl)phosphanyl]tricosan-12-amine?
The canonical SMILES for N,N-bis[bis(3-tripropylsilylphenyl)phosphanyl]tricosan-12-amine is CCCCCCCCCCCC(CCCCCCCCCCC)N(P(c1cccc([Si](CCC)(CCC)CCC)c1)c1cccc([Si](CCC)(CCC)CCC)c1)P(c1cccc([Si](CCC)(CCC)CCC)c1)c1cccc([Si](CCC)(CCC)CCC)c1.
What is the InChIKey of N,N-bis[bis(3-tripropylsilylphenyl)phosphanyl]tricosan-12-amine?
The InChIKey is NCELPBIIVLLMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H147NP2Si4/c1-15-29-31-33-35-37-39-41-43-49-75(50-44-42-40-38-36-34-32-30-16-2)84(85(76-51-45-55-80(71-76)87(59-17-3,60-18-4)61-19-5)77-52-46-56-81(72-77)88(62-20-6,63-21-7)64-22-8)86(78-53-47-57-82(73-78)89(65-23-9,66-24-10)67-25-11)79-54-48-58-83(74-79)90(68-26-12,69-27-13)70-28-14/h45-48,51-58,71-75H,15-44,49-50,59-70H2,1-14H3.
What are the key properties of N,N-bis[bis(3-tripropylsilylphenyl)phosphanyl]tricosan-12-amine?
N,N-bis[bis(3-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(3-tripropylsilylphenyl)phosphanyl]tricosan-12-amine is sourced from PubChem (CID 177177817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).