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

C82H131NP2Si — CID 172634038

IUPACN,N-bis[bis(4-decylphenyl)phosphanyl]-4-tributylsilylaniline
SMILESCCCCCCCCCCc1ccc(P(c2ccc(CCCCCCCCCC)cc2)N(c2ccc([Si](CCCC)(CCCC)CCCC)cc2)P(c2ccc(CCCCCCCCCC)cc2)c2ccc(CCCCCCCCCC)cc2)cc1
InChIInChI=1S/C82H131NP2Si/c1-8-15-22-26-30-34-38-42-46-73-50-60-78(61-51-73)84(79-62-52-74(53-63-79)47-43-39-35-31-27-23-16-9-2)83(77-58-68-82(69-59-77)86(70-19-12-5,71-20-13-6)72-21-14-7)85(80-64-54-75(55-65-80)48-44-40-36-32-28-24-17-10-3)81-66-56-76(57-67-81)49-45-41-37-33-29-25-18-11-4/h50-69H,8-49,70-72H2,1-7H3
InChIKeyVTWPOIOJQSRAPL-UHFFFAOYSA-N
MW1220.99 g/mol
LogP25.38
Rot. Bonds53

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

N,N-bis[bis(4-decylphenyl)phosphanyl]-4-tributylsilylaniline (PubChem CID 172634038) has the molecular formula C82H131NP2Si and a molecular weight of 1220.99 g/mol. Its IUPAC name is N,N-bis[bis(4-decylphenyl)phosphanyl]-4-tributylsilylaniline.

Molecular Properties

Compound NameN,N-bis[bis(4-decylphenyl)phosphanyl]-4-tributylsilylaniline
PubChem CID172634038
Molecular FormulaC82H131NP2Si
Molecular Weight1220.99 g/mol
Exact Mass1219.95
IUPAC NameN,N-bis[bis(4-decylphenyl)phosphanyl]-4-tributylsilylaniline
SMILESCCCCCCCCCCc1ccc(P(c2ccc(CCCCCCCCCC)cc2)N(c2ccc([Si](CCCC)(CCCC)CCCC)cc2)P(c2ccc(CCCCCCCCCC)cc2)c2ccc(CCCCCCCCCC)cc2)cc1
InChIInChI=1S/C82H131NP2Si/c1-8-15-22-26-30-34-38-42-46-73-50-60-78(61-51-73)84(79-62-52-74(53-63-79)47-43-39-35-31-27-23-16-9-2)83(77-58-68-82(69-59-77)86(70-19-12-5,71-20-13-6)72-21-14-7)85(80-64-54-75(55-65-80)48-44-40-36-32-28-24-17-10-3)81-66-56-76(57-67-81)49-45-41-37-33-29-25-18-11-4/h50-69H,8-49,70-72H2,1-7H3
InChIKeyVTWPOIOJQSRAPL-UHFFFAOYSA-N
XLogP25.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds53
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001220.99
LogP ≤ 525.38
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-tripropylsilylaniline
CID 172633994
N,N-bis[bis(4-cyclohexylphenyl)phosphanyl]-4-tributylsilylaniline
CID 172633998
N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]aniline
CID 172633992
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-tributylsilylaniline?
The IUPAC name of N,N-bis[bis(4-decylphenyl)phosphanyl]-4-tributylsilylaniline (CID 172634038) is N,N-bis[bis(4-decylphenyl)phosphanyl]-4-tributylsilylaniline.
What is the SMILES notation for N,N-bis[bis(4-decylphenyl)phosphanyl]-4-tributylsilylaniline?
The canonical SMILES for N,N-bis[bis(4-decylphenyl)phosphanyl]-4-tributylsilylaniline is CCCCCCCCCCc1ccc(P(c2ccc(CCCCCCCCCC)cc2)N(c2ccc([Si](CCCC)(CCCC)CCCC)cc2)P(c2ccc(CCCCCCCCCC)cc2)c2ccc(CCCCCCCCCC)cc2)cc1.
What is the InChIKey of N,N-bis[bis(4-decylphenyl)phosphanyl]-4-tributylsilylaniline?
The InChIKey is VTWPOIOJQSRAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H131NP2Si/c1-8-15-22-26-30-34-38-42-46-73-50-60-78(61-51-73)84(79-62-52-74(53-63-79)47-43-39-35-31-27-23-16-9-2)83(77-58-68-82(69-59-77)86(70-19-12-5,71-20-13-6)72-21-14-7)85(80-64-54-75(55-65-80)48-44-40-36-32-28-24-17-10-3)81-66-56-76(57-67-81)49-45-41-37-33-29-25-18-11-4/h50-69H,8-49,70-72H2,1-7H3.
What are the key properties of N,N-bis[bis(4-decylphenyl)phosphanyl]-4-tributylsilylaniline?
N,N-bis[bis(4-decylphenyl)phosphanyl]-4-tributylsilylaniline has a molecular weight of 1220.99 g/mol, XLogP of 25.38, 53 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-tributylsilylaniline is sourced from PubChem (CID 172634038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).