N,N-bis[bis(4-cyclohexylphenyl)phosphanyl]-4-tripropylsilylaniline

C63H85NP2Si — CID 172634044

IUPACN,N-bis[bis(4-cyclohexylphenyl)phosphanyl]-4-tripropylsilylaniline
SMILESCCC[Si](CCC)(CCC)c1ccc(N(P(c2ccc(C3CCCCC3)cc2)c2ccc(C3CCCCC3)cc2)P(c2ccc(C3CCCCC3)cc2)c2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C63H85NP2Si/c1-4-47-67(48-5-2,49-6-3)63-45-35-58(36-46-63)64(65(59-37-27-54(28-38-59)50-19-11-7-12-20-50)60-39-29-55(30-40-60)51-21-13-8-14-22-51)66(61-41-31-56(32-42-61)52-23-15-9-16-24-52)62-43-33-57(34-44-62)53-25-17-10-18-26-53/h27-46,50-53H,4-26,47-49H2,1-3H3
InChIKeyYTSYJZAEMJKJMB-UHFFFAOYSA-N
MW946.41 g/mol
LogP17.67
Rot. Bonds18

About N,N-bis[bis(4-cyclohexylphenyl)phosphanyl]-4-tripropylsilylaniline

N,N-bis[bis(4-cyclohexylphenyl)phosphanyl]-4-tripropylsilylaniline (PubChem CID 172634044) has the molecular formula C63H85NP2Si and a molecular weight of 946.41 g/mol. Its IUPAC name is N,N-bis[bis(4-cyclohexylphenyl)phosphanyl]-4-tripropylsilylaniline.

Molecular Properties

Compound NameN,N-bis[bis(4-cyclohexylphenyl)phosphanyl]-4-tripropylsilylaniline
PubChem CID172634044
Molecular FormulaC63H85NP2Si
Molecular Weight946.41 g/mol
Exact Mass945.59
IUPAC NameN,N-bis[bis(4-cyclohexylphenyl)phosphanyl]-4-tripropylsilylaniline
SMILESCCC[Si](CCC)(CCC)c1ccc(N(P(c2ccc(C3CCCCC3)cc2)c2ccc(C3CCCCC3)cc2)P(c2ccc(C3CCCCC3)cc2)c2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C63H85NP2Si/c1-4-47-67(48-5-2,49-6-3)63-45-35-58(36-46-63)64(65(59-37-27-54(28-38-59)50-19-11-7-12-20-50)60-39-29-55(30-40-60)51-21-13-8-14-22-51)66(61-41-31-56(32-42-61)52-23-15-9-16-24-52)62-43-33-57(34-44-62)53-25-17-10-18-26-53/h27-46,50-53H,4-26,47-49H2,1-3H3
InChIKeyYTSYJZAEMJKJMB-UHFFFAOYSA-N
XLogP17.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500946.41
LogP ≤ 517.67
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-cyclohexylphenyl)phosphanyl]-4-tributylsilylaniline
CID 172633998
N,N-bis[bis(4-decylphenyl)phosphanyl]-4-tripropylsilylaniline
CID 172633994
4-cyclopentyl-N,N-dimethylaniline
CID 54506338
1-N,8-N-bis(4-cyclohexylphenyl)-4,5-dimethyl-1-N,8-N-dipyridin-3-ylpyrene-1,8-diamine
CID 58383842
4-[(E)-2-(4-cyclohexylphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-cyclohexylphenyl)ethenyl]phenyl]aniline
CID 59838926
4-cyclobutyl-N,N-dimethylaniline
CID 170179749
1-(4-cyclohexyl-N-methylanilino)propan-2-one
CID 115234545
4-N-(4-cyclohexylphenyl)-4-N-methylbenzene-1,4-diamine
CID 155134226
N'-(4-cyclohexylphenyl)-N'-methylpropane-1,3-diamine
CID 96675502
N-(3-chloropropyl)-4-cyclohexyl-N-methylaniline
CID 115215489
N-(4-cyclohexylphenyl)-4-methyl-N-(4-propan-2-ylphenyl)aniline
CID 58383017
3,8-dicyclohexyl-1-N,1-N,6-N,6-N-tetrakis(4-trimethylsilylphenyl)pyrene-1,6-diamine
CID 58383868

Frequently Asked Questions

What is the IUPAC name of N,N-bis[bis(4-cyclohexylphenyl)phosphanyl]-4-tripropylsilylaniline?
The IUPAC name of N,N-bis[bis(4-cyclohexylphenyl)phosphanyl]-4-tripropylsilylaniline (CID 172634044) is N,N-bis[bis(4-cyclohexylphenyl)phosphanyl]-4-tripropylsilylaniline.
What is the SMILES notation for N,N-bis[bis(4-cyclohexylphenyl)phosphanyl]-4-tripropylsilylaniline?
The canonical SMILES for N,N-bis[bis(4-cyclohexylphenyl)phosphanyl]-4-tripropylsilylaniline is CCC[Si](CCC)(CCC)c1ccc(N(P(c2ccc(C3CCCCC3)cc2)c2ccc(C3CCCCC3)cc2)P(c2ccc(C3CCCCC3)cc2)c2ccc(C3CCCCC3)cc2)cc1.
What is the InChIKey of N,N-bis[bis(4-cyclohexylphenyl)phosphanyl]-4-tripropylsilylaniline?
The InChIKey is YTSYJZAEMJKJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H85NP2Si/c1-4-47-67(48-5-2,49-6-3)63-45-35-58(36-46-63)64(65(59-37-27-54(28-38-59)50-19-11-7-12-20-50)60-39-29-55(30-40-60)51-21-13-8-14-22-51)66(61-41-31-56(32-42-61)52-23-15-9-16-24-52)62-43-33-57(34-44-62)53-25-17-10-18-26-53/h27-46,50-53H,4-26,47-49H2,1-3H3.
What are the key properties of N,N-bis[bis(4-cyclohexylphenyl)phosphanyl]-4-tripropylsilylaniline?
N,N-bis[bis(4-cyclohexylphenyl)phosphanyl]-4-tripropylsilylaniline has a molecular weight of 946.41 g/mol, XLogP of 17.67, 18 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-cyclohexylphenyl)phosphanyl]-4-tripropylsilylaniline is sourced from PubChem (CID 172634044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).