N-bis(3-tripropylsilylphenyl)phosphanylcyclohexanamine

C36H62NPSi2 — CID 171491182

IUPACN-bis(3-tripropylsilylphenyl)phosphanylcyclohexanamine
SMILESCCC[Si](CCC)(CCC)c1cccc(P(NC2CCCCC2)c2cccc([Si](CCC)(CCC)CCC)c2)c1
InChIInChI=1S/C36H62NPSi2/c1-7-24-39(25-8-2,26-9-3)35-22-16-20-33(30-35)38(37-32-18-14-13-15-19-32)34-21-17-23-36(31-34)40(27-10-4,28-11-5)29-12-6/h16-17,20-23,30-32,37H,7-15,18-19,24-29H2,1-6H3
InChIKeyMNZNTRKCGNORPJ-UHFFFAOYSA-N
MW596.05 g/mol
LogP9.73
Rot. Bonds18

About N-bis(3-tripropylsilylphenyl)phosphanylcyclohexanamine

N-bis(3-tripropylsilylphenyl)phosphanylcyclohexanamine (PubChem CID 171491182) has the molecular formula C36H62NPSi2 and a molecular weight of 596.05 g/mol. Its IUPAC name is N-bis(3-tripropylsilylphenyl)phosphanylcyclohexanamine.

Molecular Properties

Compound NameN-bis(3-tripropylsilylphenyl)phosphanylcyclohexanamine
PubChem CID171491182
Molecular FormulaC36H62NPSi2
Molecular Weight596.05 g/mol
Exact Mass595.42
IUPAC NameN-bis(3-tripropylsilylphenyl)phosphanylcyclohexanamine
SMILESCCC[Si](CCC)(CCC)c1cccc(P(NC2CCCCC2)c2cccc([Si](CCC)(CCC)CCC)c2)c1
InChIInChI=1S/C36H62NPSi2/c1-7-24-39(25-8-2,26-9-3)35-22-16-20-33(30-35)38(37-32-18-14-13-15-19-32)34-21-17-23-36(31-34)40(27-10-4,28-11-5)29-12-6/h16-17,20-23,30-32,37H,7-15,18-19,24-29H2,1-6H3
InChIKeyMNZNTRKCGNORPJ-UHFFFAOYSA-N
XLogP9.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.05
LogP ≤ 59.73
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 N-bis(3-tripropylsilylphenyl)phosphanylcyclohexanamine?
The IUPAC name of N-bis(3-tripropylsilylphenyl)phosphanylcyclohexanamine (CID 171491182) is N-bis(3-tripropylsilylphenyl)phosphanylcyclohexanamine.
What is the SMILES notation for N-bis(3-tripropylsilylphenyl)phosphanylcyclohexanamine?
The canonical SMILES for N-bis(3-tripropylsilylphenyl)phosphanylcyclohexanamine is CCC[Si](CCC)(CCC)c1cccc(P(NC2CCCCC2)c2cccc([Si](CCC)(CCC)CCC)c2)c1.
What is the InChIKey of N-bis(3-tripropylsilylphenyl)phosphanylcyclohexanamine?
The InChIKey is MNZNTRKCGNORPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H62NPSi2/c1-7-24-39(25-8-2,26-9-3)35-22-16-20-33(30-35)38(37-32-18-14-13-15-19-32)34-21-17-23-36(31-34)40(27-10-4,28-11-5)29-12-6/h16-17,20-23,30-32,37H,7-15,18-19,24-29H2,1-6H3.
What are the key properties of N-bis(3-tripropylsilylphenyl)phosphanylcyclohexanamine?
N-bis(3-tripropylsilylphenyl)phosphanylcyclohexanamine has a molecular weight of 596.05 g/mol, XLogP of 9.73, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(3-tripropylsilylphenyl)phosphanylcyclohexanamine is sourced from PubChem (CID 171491182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).