N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]-4-(trifluoromethyl)cyclohexan-1-amine

C67H110F3NP2Si4 — CID 169187861

IUPACN,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCC[Si](CCC)(CCC)c1ccc(P(c2ccc([Si](CCC)(CCC)CCC)cc2)N(C2CCC(C(F)(F)F)CC2)P(c2ccc([Si](CCC)(CCC)CCC)cc2)c2ccc([Si](CCC)(CCC)CCC)cc2)cc1
InChIInChI=1S/C67H110F3NP2Si4/c1-13-45-74(46-14-2,47-15-3)63-37-29-59(30-38-63)72(60-31-39-64(40-32-60)75(48-16-4,49-17-5)50-18-6)71(58-27-25-57(26-28-58)67(68,69)70)73(61-33-41-65(42-34-61)76(51-19-7,52-20-8)53-21-9)62-35-43-66(44-36-62)77(54-22-10,55-23-11)56-24-12/h29-44,57-58H,13-28,45-56H2,1-12H3
InChIKeyJSEQABNQKWAEOY-UHFFFAOYSA-N
MW1160.91 g/mol
LogP19.05
Rot. Bonds35

About N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]-4-(trifluoromethyl)cyclohexan-1-amine

N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 169187861) has the molecular formula C67H110F3NP2Si4 and a molecular weight of 1160.91 g/mol. Its IUPAC name is N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID169187861
Molecular FormulaC67H110F3NP2Si4
Molecular Weight1160.91 g/mol
Exact Mass1159.71
IUPAC NameN,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCC[Si](CCC)(CCC)c1ccc(P(c2ccc([Si](CCC)(CCC)CCC)cc2)N(C2CCC(C(F)(F)F)CC2)P(c2ccc([Si](CCC)(CCC)CCC)cc2)c2ccc([Si](CCC)(CCC)CCC)cc2)cc1
InChIInChI=1S/C67H110F3NP2Si4/c1-13-45-74(46-14-2,47-15-3)63-37-29-59(30-38-63)72(60-31-39-64(40-32-60)75(48-16-4,49-17-5)50-18-6)71(58-27-25-57(26-28-58)67(68,69)70)73(61-33-41-65(42-34-61)76(51-19-7,52-20-8)53-21-9)62-35-43-66(44-36-62)77(54-22-10,55-23-11)56-24-12/h29-44,57-58H,13-28,45-56H2,1-12H3
InChIKeyJSEQABNQKWAEOY-UHFFFAOYSA-N
XLogP19.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds35
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001160.91
LogP ≤ 519.05
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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Frequently Asked Questions

What is the IUPAC name of N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 169187861) is N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]-4-(trifluoromethyl)cyclohexan-1-amine is CCC[Si](CCC)(CCC)c1ccc(P(c2ccc([Si](CCC)(CCC)CCC)cc2)N(C2CCC(C(F)(F)F)CC2)P(c2ccc([Si](CCC)(CCC)CCC)cc2)c2ccc([Si](CCC)(CCC)CCC)cc2)cc1.
What is the InChIKey of N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is JSEQABNQKWAEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H110F3NP2Si4/c1-13-45-74(46-14-2,47-15-3)63-37-29-59(30-38-63)72(60-31-39-64(40-32-60)75(48-16-4,49-17-5)50-18-6)71(58-27-25-57(26-28-58)67(68,69)70)73(61-33-41-65(42-34-61)76(51-19-7,52-20-8)53-21-9)62-35-43-66(44-36-62)77(54-22-10,55-23-11)56-24-12/h29-44,57-58H,13-28,45-56H2,1-12H3.
What are the key properties of N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]-4-(trifluoromethyl)cyclohexan-1-amine?
N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 1160.91 g/mol, XLogP of 19.05, 35 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-tripropylsilylphenyl)phosphanyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 169187861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).