1-[2-[bis(4-tributylsilylphenyl)phosphanylamino]phosphanyl-1-(4-tributylsilylphenyl)-3-(trifluoromethyl)cyclohexyl]-4-tributylsilylbenzene

C79H134F3NP2Si4 — CID 170944134

IUPAC1-[2-[bis(4-tributylsilylphenyl)phosphanylamino]phosphanyl-1-(4-tributylsilylphenyl)-3-(trifluoromethyl)cyclohexyl]-4-tributylsilylbenzene
SMILESCCCC[Si](CCCC)(CCCC)c1ccc(P(NPC2C(C(F)(F)F)CCCC2(c2ccc([Si](CCCC)(CCCC)CCCC)cc2)c2ccc([Si](CCCC)(CCCC)CCCC)cc2)c2ccc([Si](CCCC)(CCCC)CCCC)cc2)cc1
InChIInChI=1S/C79H134F3NP2Si4/c1-13-25-56-86(57-26-14-2,58-27-15-3)72-47-39-68(40-48-72)78(69-41-49-73(50-42-69)87(59-28-16-4,60-29-17-5)61-30-18-6)55-37-38-76(79(80,81)82)77(78)84-83-85(70-43-51-74(52-44-70)88(62-31-19-7,63-32-20-8)64-33-21-9)71-45-53-75(54-46-71)89(65-34-22-10,66-35-23-11)67-36-24-12/h39-54,76-77,83-84H,13-38,55-67H2,1-12H3
InChIKeyUTSXLTVVVZVRPM-UHFFFAOYSA-N
MW1329.23 g/mol
LogP24.16
Rot. Bonds47

About 1-[2-[bis(4-tributylsilylphenyl)phosphanylamino]phosphanyl-1-(4-tributylsilylphenyl)-3-(trifluoromethyl)cyclohexyl]-4-tributylsilylbenzene

1-[2-[bis(4-tributylsilylphenyl)phosphanylamino]phosphanyl-1-(4-tributylsilylphenyl)-3-(trifluoromethyl)cyclohexyl]-4-tributylsilylbenzene (PubChem CID 170944134) has the molecular formula C79H134F3NP2Si4 and a molecular weight of 1329.23 g/mol. Its IUPAC name is 1-[2-[bis(4-tributylsilylphenyl)phosphanylamino]phosphanyl-1-(4-tributylsilylphenyl)-3-(trifluoromethyl)cyclohexyl]-4-tributylsilylbenzene.

Molecular Properties

Compound Name1-[2-[bis(4-tributylsilylphenyl)phosphanylamino]phosphanyl-1-(4-tributylsilylphenyl)-3-(trifluoromethyl)cyclohexyl]-4-tributylsilylbenzene
PubChem CID170944134
Molecular FormulaC79H134F3NP2Si4
Molecular Weight1329.23 g/mol
Exact Mass1327.90
IUPAC Name1-[2-[bis(4-tributylsilylphenyl)phosphanylamino]phosphanyl-1-(4-tributylsilylphenyl)-3-(trifluoromethyl)cyclohexyl]-4-tributylsilylbenzene
SMILESCCCC[Si](CCCC)(CCCC)c1ccc(P(NPC2C(C(F)(F)F)CCCC2(c2ccc([Si](CCCC)(CCCC)CCCC)cc2)c2ccc([Si](CCCC)(CCCC)CCCC)cc2)c2ccc([Si](CCCC)(CCCC)CCCC)cc2)cc1
InChIInChI=1S/C79H134F3NP2Si4/c1-13-25-56-86(57-26-14-2,58-27-15-3)72-47-39-68(40-48-72)78(69-41-49-73(50-42-69)87(59-28-16-4,60-29-17-5)61-30-18-6)55-37-38-76(79(80,81)82)77(78)84-83-85(70-43-51-74(52-44-70)88(62-31-19-7,63-32-20-8)64-33-21-9)71-45-53-75(54-46-71)89(65-34-22-10,66-35-23-11)67-36-24-12/h39-54,76-77,83-84H,13-38,55-67H2,1-12H3
InChIKeyUTSXLTVVVZVRPM-UHFFFAOYSA-N
XLogP24.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds47
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001329.23
LogP ≤ 524.16
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(4-tributylsilylphenyl)phosphanylamino]phosphanyl-1-(4-tributylsilylphenyl)-3-(trifluoromethyl)cyclohexyl]-4-tributylsilylbenzene?
The IUPAC name of 1-[2-[bis(4-tributylsilylphenyl)phosphanylamino]phosphanyl-1-(4-tributylsilylphenyl)-3-(trifluoromethyl)cyclohexyl]-4-tributylsilylbenzene (CID 170944134) is 1-[2-[bis(4-tributylsilylphenyl)phosphanylamino]phosphanyl-1-(4-tributylsilylphenyl)-3-(trifluoromethyl)cyclohexyl]-4-tributylsilylbenzene.
What is the SMILES notation for 1-[2-[bis(4-tributylsilylphenyl)phosphanylamino]phosphanyl-1-(4-tributylsilylphenyl)-3-(trifluoromethyl)cyclohexyl]-4-tributylsilylbenzene?
The canonical SMILES for 1-[2-[bis(4-tributylsilylphenyl)phosphanylamino]phosphanyl-1-(4-tributylsilylphenyl)-3-(trifluoromethyl)cyclohexyl]-4-tributylsilylbenzene is CCCC[Si](CCCC)(CCCC)c1ccc(P(NPC2C(C(F)(F)F)CCCC2(c2ccc([Si](CCCC)(CCCC)CCCC)cc2)c2ccc([Si](CCCC)(CCCC)CCCC)cc2)c2ccc([Si](CCCC)(CCCC)CCCC)cc2)cc1.
What is the InChIKey of 1-[2-[bis(4-tributylsilylphenyl)phosphanylamino]phosphanyl-1-(4-tributylsilylphenyl)-3-(trifluoromethyl)cyclohexyl]-4-tributylsilylbenzene?
The InChIKey is UTSXLTVVVZVRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H134F3NP2Si4/c1-13-25-56-86(57-26-14-2,58-27-15-3)72-47-39-68(40-48-72)78(69-41-49-73(50-42-69)87(59-28-16-4,60-29-17-5)61-30-18-6)55-37-38-76(79(80,81)82)77(78)84-83-85(70-43-51-74(52-44-70)88(62-31-19-7,63-32-20-8)64-33-21-9)71-45-53-75(54-46-71)89(65-34-22-10,66-35-23-11)67-36-24-12/h39-54,76-77,83-84H,13-38,55-67H2,1-12H3.
What are the key properties of 1-[2-[bis(4-tributylsilylphenyl)phosphanylamino]phosphanyl-1-(4-tributylsilylphenyl)-3-(trifluoromethyl)cyclohexyl]-4-tributylsilylbenzene?
1-[2-[bis(4-tributylsilylphenyl)phosphanylamino]phosphanyl-1-(4-tributylsilylphenyl)-3-(trifluoromethyl)cyclohexyl]-4-tributylsilylbenzene has a molecular weight of 1329.23 g/mol, XLogP of 24.16, 47 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis(4-tributylsilylphenyl)phosphanylamino]phosphanyl-1-(4-tributylsilylphenyl)-3-(trifluoromethyl)cyclohexyl]-4-tributylsilylbenzene is sourced from PubChem (CID 170944134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).