N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]aniline

C66H105NP2Si4 — CID 172633992

IUPACN,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]aniline
SMILESCCC[Si](CCC)(CCC)c1ccc(P(c2ccc([Si](CCC)(CCC)CCC)cc2)N(c2ccccc2)P(c2ccc([Si](CCC)(CCC)CCC)cc2)c2ccc([Si](CCC)(CCC)CCC)cc2)cc1
InChIInChI=1S/C66H105NP2Si4/c1-13-46-70(47-14-2,48-15-3)63-38-30-59(31-39-63)68(60-32-40-64(41-33-60)71(49-16-4,50-17-5)51-18-6)67(58-28-26-25-27-29-58)69(61-34-42-65(43-35-61)72(52-19-7,53-20-8)54-21-9)62-36-44-66(45-37-62)73(55-22-10,56-23-11)57-24-12/h25-45H,13-24,46-57H2,1-12H3
InChIKeyIQTRGIQLRVYMKL-UHFFFAOYSA-N
MW1086.87 g/mol
LogP18.13
Rot. Bonds35

About N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]aniline

N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]aniline (PubChem CID 172633992) has the molecular formula C66H105NP2Si4 and a molecular weight of 1086.87 g/mol. Its IUPAC name is N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]aniline.

Molecular Properties

Compound NameN,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]aniline
PubChem CID172633992
Molecular FormulaC66H105NP2Si4
Molecular Weight1086.87 g/mol
Exact Mass1085.68
IUPAC NameN,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]aniline
SMILESCCC[Si](CCC)(CCC)c1ccc(P(c2ccc([Si](CCC)(CCC)CCC)cc2)N(c2ccccc2)P(c2ccc([Si](CCC)(CCC)CCC)cc2)c2ccc([Si](CCC)(CCC)CCC)cc2)cc1
InChIInChI=1S/C66H105NP2Si4/c1-13-46-70(47-14-2,48-15-3)63-38-30-59(31-39-63)68(60-32-40-64(41-33-60)71(49-16-4,50-17-5)51-18-6)67(58-28-26-25-27-29-58)69(61-34-42-65(43-35-61)72(52-19-7,53-20-8)54-21-9)62-36-44-66(45-37-62)73(55-22-10,56-23-11)57-24-12/h25-45H,13-24,46-57H2,1-12H3
InChIKeyIQTRGIQLRVYMKL-UHFFFAOYSA-N
XLogP18.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds35
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001086.87
LogP ≤ 518.13
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,N-bis[bis(4-decylphenyl)phosphanyl]-4-tripropylsilylaniline
CID 172633994
N,N-bis[bis(4-cyclohexylphenyl)phosphanyl]-4-tripropylsilylaniline
CID 172634044
N,N-bis[bis(4-decylphenyl)phosphanyl]-4-tributylsilylaniline
CID 172634038
N,N-bis[bis(4-cyclohexylphenyl)phosphanyl]-4-tributylsilylaniline
CID 172633998
1-N,1-N,4-N,4-N-tetrakis(diphenylphosphanyl)benzene-1,4-diamine
CID 11423026
N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]tricosan-12-amine
CID 177177807
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
N-bis(3-tributylsilylphenyl)phosphanyl-N-bis(4-tributylsilylphenyl)phosphanylpropan-2-amine
CID 171491214
N-bis(4-tributylsilylphenyl)phosphanyl-N-[(2-trimethylsilylphenyl)-(4-trimethylsilylphenyl)phosphanyl]butan-1-amine
CID 176550922
chloro-bis(4-tributylsilylphenyl)phosphane
CID 155668506
4-[4-[bis(diphenylphosphanyl)amino]phenoxy]-N,N-bis(diphenylphosphanyl)aniline
CID 118584651

Frequently Asked Questions

What is the IUPAC name of N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]aniline?
The IUPAC name of N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]aniline (CID 172633992) is N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]aniline.
What is the SMILES notation for N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]aniline?
The canonical SMILES for N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]aniline is CCC[Si](CCC)(CCC)c1ccc(P(c2ccc([Si](CCC)(CCC)CCC)cc2)N(c2ccccc2)P(c2ccc([Si](CCC)(CCC)CCC)cc2)c2ccc([Si](CCC)(CCC)CCC)cc2)cc1.
What is the InChIKey of N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]aniline?
The InChIKey is IQTRGIQLRVYMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H105NP2Si4/c1-13-46-70(47-14-2,48-15-3)63-38-30-59(31-39-63)68(60-32-40-64(41-33-60)71(49-16-4,50-17-5)51-18-6)67(58-28-26-25-27-29-58)69(61-34-42-65(43-35-61)72(52-19-7,53-20-8)54-21-9)62-36-44-66(45-37-62)73(55-22-10,56-23-11)57-24-12/h25-45H,13-24,46-57H2,1-12H3.
What are the key properties of N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]aniline?
N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]aniline has a molecular weight of 1086.87 g/mol, XLogP of 18.13, 35 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]aniline is sourced from PubChem (CID 172633992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).