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

C66H91NP2Si — CID 172633998

IUPACN,N-bis[bis(4-cyclohexylphenyl)phosphanyl]-4-tributylsilylaniline
SMILESCCCC[Si](CCCC)(CCCC)c1ccc(N(P(c2ccc(C3CCCCC3)cc2)c2ccc(C3CCCCC3)cc2)P(c2ccc(C3CCCCC3)cc2)c2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C66H91NP2Si/c1-4-7-50-70(51-8-5-2,52-9-6-3)66-48-38-61(39-49-66)67(68(62-40-30-57(31-41-62)53-22-14-10-15-23-53)63-42-32-58(33-43-63)54-24-16-11-17-25-54)69(64-44-34-59(35-45-64)55-26-18-12-19-27-55)65-46-36-60(37-47-65)56-28-20-13-21-29-56/h30-49,53-56H,4-29,50-52H2,1-3H3
InChIKeyKWKFGXIEQZUTNJ-UHFFFAOYSA-N
MW988.49 g/mol
LogP18.84
Rot. Bonds21

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

N,N-bis[bis(4-cyclohexylphenyl)phosphanyl]-4-tributylsilylaniline (PubChem CID 172633998) has the molecular formula C66H91NP2Si and a molecular weight of 988.49 g/mol. Its IUPAC name is N,N-bis[bis(4-cyclohexylphenyl)phosphanyl]-4-tributylsilylaniline.

Molecular Properties

Compound NameN,N-bis[bis(4-cyclohexylphenyl)phosphanyl]-4-tributylsilylaniline
PubChem CID172633998
Molecular FormulaC66H91NP2Si
Molecular Weight988.49 g/mol
Exact Mass987.64
IUPAC NameN,N-bis[bis(4-cyclohexylphenyl)phosphanyl]-4-tributylsilylaniline
SMILESCCCC[Si](CCCC)(CCCC)c1ccc(N(P(c2ccc(C3CCCCC3)cc2)c2ccc(C3CCCCC3)cc2)P(c2ccc(C3CCCCC3)cc2)c2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C66H91NP2Si/c1-4-7-50-70(51-8-5-2,52-9-6-3)66-48-38-61(39-49-66)67(68(62-40-30-57(31-41-62)53-22-14-10-15-23-53)63-42-32-58(33-43-63)54-24-16-11-17-25-54)69(64-44-34-59(35-45-64)55-26-18-12-19-27-55)65-46-36-60(37-47-65)56-28-20-13-21-29-56/h30-49,53-56H,4-29,50-52H2,1-3H3
InChIKeyKWKFGXIEQZUTNJ-UHFFFAOYSA-N
XLogP18.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500988.49
LogP ≤ 518.84
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-tripropylsilylaniline
CID 172634044
N,N-bis[bis(4-decylphenyl)phosphanyl]-4-tripropylsilylaniline
CID 172633994
4-cyclopentyl-N,N-dimethylaniline
CID 54506338
1-(4-cyclohexylphenyl)octan-1-ol
CID 63426970
1-cyclohexyl-4-heptoxybenzene
CID 56628106
1-(4-cyclopentylphenyl)hexan-1-ol
CID 91233072
N-(3-chloropropyl)-4-cyclohexyl-N-methylaniline
CID 115215489
N'-(4-cyclohexylphenyl)-N'-methylpropane-1,3-diamine
CID 96675502
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
1-(4-cyclohexylphenyl)hexan-1-amine
CID 43125388
4-cyclobutyl-N,N-dimethylaniline
CID 170179749

Frequently Asked Questions

What is the IUPAC name of N,N-bis[bis(4-cyclohexylphenyl)phosphanyl]-4-tributylsilylaniline?
The IUPAC name of N,N-bis[bis(4-cyclohexylphenyl)phosphanyl]-4-tributylsilylaniline (CID 172633998) is N,N-bis[bis(4-cyclohexylphenyl)phosphanyl]-4-tributylsilylaniline.
What is the SMILES notation for N,N-bis[bis(4-cyclohexylphenyl)phosphanyl]-4-tributylsilylaniline?
The canonical SMILES for N,N-bis[bis(4-cyclohexylphenyl)phosphanyl]-4-tributylsilylaniline is CCCC[Si](CCCC)(CCCC)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-tributylsilylaniline?
The InChIKey is KWKFGXIEQZUTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H91NP2Si/c1-4-7-50-70(51-8-5-2,52-9-6-3)66-48-38-61(39-49-66)67(68(62-40-30-57(31-41-62)53-22-14-10-15-23-53)63-42-32-58(33-43-63)54-24-16-11-17-25-54)69(64-44-34-59(35-45-64)55-26-18-12-19-27-55)65-46-36-60(37-47-65)56-28-20-13-21-29-56/h30-49,53-56H,4-29,50-52H2,1-3H3.
What are the key properties of N,N-bis[bis(4-cyclohexylphenyl)phosphanyl]-4-tributylsilylaniline?
N,N-bis[bis(4-cyclohexylphenyl)phosphanyl]-4-tributylsilylaniline has a molecular weight of 988.49 g/mol, XLogP of 18.84, 21 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-tributylsilylaniline is sourced from PubChem (CID 172633998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).