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

C79H125NP2Si — CID 172633994

IUPACN,N-bis[bis(4-decylphenyl)phosphanyl]-4-tripropylsilylaniline
SMILESCCCCCCCCCCc1ccc(P(c2ccc(CCCCCCCCCC)cc2)N(c2ccc([Si](CCC)(CCC)CCC)cc2)P(c2ccc(CCCCCCCCCC)cc2)c2ccc(CCCCCCCCCC)cc2)cc1
InChIInChI=1S/C79H125NP2Si/c1-8-15-19-23-27-31-35-39-43-70-47-57-75(58-48-70)81(76-59-49-71(50-60-76)44-40-36-32-28-24-20-16-9-2)80(74-55-65-79(66-56-74)83(67-12-5,68-13-6)69-14-7)82(77-61-51-72(52-62-77)45-41-37-33-29-25-21-17-10-3)78-63-53-73(54-64-78)46-42-38-34-30-26-22-18-11-4/h47-66H,8-46,67-69H2,1-7H3
InChIKeyFTDYNYUQRMEROA-UHFFFAOYSA-N
MW1178.91 g/mol
LogP24.21
Rot. Bonds50

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

N,N-bis[bis(4-decylphenyl)phosphanyl]-4-tripropylsilylaniline (PubChem CID 172633994) has the molecular formula C79H125NP2Si and a molecular weight of 1178.91 g/mol. Its IUPAC name is N,N-bis[bis(4-decylphenyl)phosphanyl]-4-tripropylsilylaniline.

Molecular Properties

Compound NameN,N-bis[bis(4-decylphenyl)phosphanyl]-4-tripropylsilylaniline
PubChem CID172633994
Molecular FormulaC79H125NP2Si
Molecular Weight1178.91 g/mol
Exact Mass1177.91
IUPAC NameN,N-bis[bis(4-decylphenyl)phosphanyl]-4-tripropylsilylaniline
SMILESCCCCCCCCCCc1ccc(P(c2ccc(CCCCCCCCCC)cc2)N(c2ccc([Si](CCC)(CCC)CCC)cc2)P(c2ccc(CCCCCCCCCC)cc2)c2ccc(CCCCCCCCCC)cc2)cc1
InChIInChI=1S/C79H125NP2Si/c1-8-15-19-23-27-31-35-39-43-70-47-57-75(58-48-70)81(76-59-49-71(50-60-76)44-40-36-32-28-24-20-16-9-2)80(74-55-65-79(66-56-74)83(67-12-5,68-13-6)69-14-7)82(77-61-51-72(52-62-77)45-41-37-33-29-25-21-17-10-3)78-63-53-73(54-64-78)46-42-38-34-30-26-22-18-11-4/h47-66H,8-46,67-69H2,1-7H3
InChIKeyFTDYNYUQRMEROA-UHFFFAOYSA-N
XLogP24.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds50
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001178.91
LogP ≤ 524.21
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(4-decylphenyl)phosphanyl]-4-tributylsilylaniline
CID 172634038
N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]aniline
CID 172633992
N,N-bis[bis(4-cyclohexylphenyl)phosphanyl]-4-tributylsilylaniline
CID 172633998
1-N,1-N,4-N,4-N-tetrakis(4-octylphenyl)benzene-1,4-diamine
CID 59470455
N,N-dichloro-4-hexylaniline
CID 87850897
4-heptyl-N,N-dimethylaniline
CID 20777180
(4-decylphenyl)-trimethylsilane
CID 69331769
1-butyl-4-nonylbenzene
CID 59545302
4-heptyl-N,N-bis(phosphanyl)aniline
CID 169286189
dichloro-(4-dodecylphenyl)phosphane
CID 19011054
4-nonyl-N,N-bis(phosphanyl)aniline
CID 169286153
N,N-diphenyl-4-tetradecylaniline
CID 170668082

Frequently Asked Questions

What is the IUPAC name of N,N-bis[bis(4-decylphenyl)phosphanyl]-4-tripropylsilylaniline?
The IUPAC name of N,N-bis[bis(4-decylphenyl)phosphanyl]-4-tripropylsilylaniline (CID 172633994) is N,N-bis[bis(4-decylphenyl)phosphanyl]-4-tripropylsilylaniline.
What is the SMILES notation for N,N-bis[bis(4-decylphenyl)phosphanyl]-4-tripropylsilylaniline?
The canonical SMILES for N,N-bis[bis(4-decylphenyl)phosphanyl]-4-tripropylsilylaniline is CCCCCCCCCCc1ccc(P(c2ccc(CCCCCCCCCC)cc2)N(c2ccc([Si](CCC)(CCC)CCC)cc2)P(c2ccc(CCCCCCCCCC)cc2)c2ccc(CCCCCCCCCC)cc2)cc1.
What is the InChIKey of N,N-bis[bis(4-decylphenyl)phosphanyl]-4-tripropylsilylaniline?
The InChIKey is FTDYNYUQRMEROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H125NP2Si/c1-8-15-19-23-27-31-35-39-43-70-47-57-75(58-48-70)81(76-59-49-71(50-60-76)44-40-36-32-28-24-20-16-9-2)80(74-55-65-79(66-56-74)83(67-12-5,68-13-6)69-14-7)82(77-61-51-72(52-62-77)45-41-37-33-29-25-21-17-10-3)78-63-53-73(54-64-78)46-42-38-34-30-26-22-18-11-4/h47-66H,8-46,67-69H2,1-7H3.
What are the key properties of N,N-bis[bis(4-decylphenyl)phosphanyl]-4-tripropylsilylaniline?
N,N-bis[bis(4-decylphenyl)phosphanyl]-4-tripropylsilylaniline has a molecular weight of 1178.91 g/mol, XLogP of 24.21, 50 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-decylphenyl)phosphanyl]-4-tripropylsilylaniline is sourced from PubChem (CID 172633994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).