N-bis(3-tributylsilylphenyl)phosphanyl-2-phenylethanamine

C44H72NPSi2 — CID 171491145

IUPACN-bis(3-tributylsilylphenyl)phosphanyl-2-phenylethanamine
SMILESCCCC[Si](CCCC)(CCCC)c1cccc(P(NCCc2ccccc2)c2cccc([Si](CCCC)(CCCC)CCCC)c2)c1
InChIInChI=1S/C44H72NPSi2/c1-7-13-32-47(33-14-8-2,34-15-9-3)43-28-22-26-41(38-43)46(45-31-30-40-24-20-19-21-25-40)42-27-23-29-44(39-42)48(35-16-10-4,36-17-11-5)37-18-12-6/h19-29,38-39,45H,7-18,30-37H2,1-6H3
InChIKeyITDYQBHLPYHNRY-UHFFFAOYSA-N
MW702.21 g/mol
LogP11.98
Rot. Bonds26

About N-bis(3-tributylsilylphenyl)phosphanyl-2-phenylethanamine

N-bis(3-tributylsilylphenyl)phosphanyl-2-phenylethanamine (PubChem CID 171491145) has the molecular formula C44H72NPSi2 and a molecular weight of 702.21 g/mol. Its IUPAC name is N-bis(3-tributylsilylphenyl)phosphanyl-2-phenylethanamine.

Molecular Properties

Compound NameN-bis(3-tributylsilylphenyl)phosphanyl-2-phenylethanamine
PubChem CID171491145
Molecular FormulaC44H72NPSi2
Molecular Weight702.21 g/mol
Exact Mass701.49
IUPAC NameN-bis(3-tributylsilylphenyl)phosphanyl-2-phenylethanamine
SMILESCCCC[Si](CCCC)(CCCC)c1cccc(P(NCCc2ccccc2)c2cccc([Si](CCCC)(CCCC)CCCC)c2)c1
InChIInChI=1S/C44H72NPSi2/c1-7-13-32-47(33-14-8-2,34-15-9-3)43-28-22-26-41(38-43)46(45-31-30-40-24-20-19-21-25-40)42-27-23-29-44(39-42)48(35-16-10-4,36-17-11-5)37-18-12-6/h19-29,38-39,45H,7-18,30-37H2,1-6H3
InChIKeyITDYQBHLPYHNRY-UHFFFAOYSA-N
XLogP11.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds26
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.21
LogP ≤ 511.98
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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Related Compounds

N-bis(3-tributylsilylphenyl)phosphanyl-N-bis(4-tributylsilylphenyl)phosphanylpropan-2-amine
CID 171491214
N-bis(3-tripropylsilylphenyl)phosphanylcyclohexanamine
CID 171491182
N-butyl-N'-(2-phenylethyl)ethane-1,2-diamine
CID 54806957
N-bis(3-tributylsilylphenyl)phosphanyl-N-bis(4-tributylsilylphenyl)phosphanylcyclooctanamine
CID 171491210
N-bis(4-tributylsilylphenyl)phosphanyl-N-bis(3-tripropylsilylphenyl)phosphanylcyclopentanamine
CID 171491143
N-(2-phenylethyl)undecan-1-amine
CID 141108004
dibenzyl-(3-tert-butylphenyl)-(3-phenylpropyl)silane
CID 174063345
N,N-bis[bis(3-tripropylsilylphenyl)phosphanyl]tricosan-12-amine
CID 177177817
magnesium;ethane;heptylbenzene;bromide
CID 175337230
butylbenzene;propylbenzene
CID 142022125
octylbenzene
CID 16607
octacosylbenzene
CID 14228596

Frequently Asked Questions

What is the IUPAC name of N-bis(3-tributylsilylphenyl)phosphanyl-2-phenylethanamine?
The IUPAC name of N-bis(3-tributylsilylphenyl)phosphanyl-2-phenylethanamine (CID 171491145) is N-bis(3-tributylsilylphenyl)phosphanyl-2-phenylethanamine.
What is the SMILES notation for N-bis(3-tributylsilylphenyl)phosphanyl-2-phenylethanamine?
The canonical SMILES for N-bis(3-tributylsilylphenyl)phosphanyl-2-phenylethanamine is CCCC[Si](CCCC)(CCCC)c1cccc(P(NCCc2ccccc2)c2cccc([Si](CCCC)(CCCC)CCCC)c2)c1.
What is the InChIKey of N-bis(3-tributylsilylphenyl)phosphanyl-2-phenylethanamine?
The InChIKey is ITDYQBHLPYHNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H72NPSi2/c1-7-13-32-47(33-14-8-2,34-15-9-3)43-28-22-26-41(38-43)46(45-31-30-40-24-20-19-21-25-40)42-27-23-29-44(39-42)48(35-16-10-4,36-17-11-5)37-18-12-6/h19-29,38-39,45H,7-18,30-37H2,1-6H3.
What are the key properties of N-bis(3-tributylsilylphenyl)phosphanyl-2-phenylethanamine?
N-bis(3-tributylsilylphenyl)phosphanyl-2-phenylethanamine has a molecular weight of 702.21 g/mol, XLogP of 11.98, 26 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(3-tributylsilylphenyl)phosphanyl-2-phenylethanamine is sourced from PubChem (CID 171491145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).