N-bis(4-tributylsilylphenyl)phosphanyl-N-bis(3-tripropylsilylphenyl)phosphanylcyclopentanamine

C71H121NP2Si4 — CID 171491143

IUPACN-bis(4-tributylsilylphenyl)phosphanyl-N-bis(3-tripropylsilylphenyl)phosphanylcyclopentanamine
SMILESCCCC[Si](CCCC)(CCCC)c1ccc(P(c2ccc([Si](CCCC)(CCCC)CCCC)cc2)N(C2CCCC2)P(c2cccc([Si](CCC)(CCC)CCC)c2)c2cccc([Si](CCC)(CCC)CCC)c2)cc1
InChIInChI=1S/C71H121NP2Si4/c1-13-25-55-77(56-26-14-2,57-27-15-3)68-45-41-64(42-46-68)73(65-43-47-69(48-44-65)78(58-28-16-4,59-29-17-5)60-30-18-6)72(63-35-31-32-36-63)74(66-37-33-39-70(61-66)75(49-19-7,50-20-8)51-21-9)67-38-34-40-71(62-67)76(52-22-10,53-23-11)54-24-12/h33-34,37-48,61-63H,13-32,35-36,49-60H2,1-12H3
InChIKeyYXXBDXBQVRJFBD-UHFFFAOYSA-N
MW1163.05 g/mol
LogP20.21
Rot. Bonds41

About N-bis(4-tributylsilylphenyl)phosphanyl-N-bis(3-tripropylsilylphenyl)phosphanylcyclopentanamine

N-bis(4-tributylsilylphenyl)phosphanyl-N-bis(3-tripropylsilylphenyl)phosphanylcyclopentanamine (PubChem CID 171491143) has the molecular formula C71H121NP2Si4 and a molecular weight of 1163.05 g/mol. Its IUPAC name is N-bis(4-tributylsilylphenyl)phosphanyl-N-bis(3-tripropylsilylphenyl)phosphanylcyclopentanamine.

Molecular Properties

Compound NameN-bis(4-tributylsilylphenyl)phosphanyl-N-bis(3-tripropylsilylphenyl)phosphanylcyclopentanamine
PubChem CID171491143
Molecular FormulaC71H121NP2Si4
Molecular Weight1163.05 g/mol
Exact Mass1161.81
IUPAC NameN-bis(4-tributylsilylphenyl)phosphanyl-N-bis(3-tripropylsilylphenyl)phosphanylcyclopentanamine
SMILESCCCC[Si](CCCC)(CCCC)c1ccc(P(c2ccc([Si](CCCC)(CCCC)CCCC)cc2)N(C2CCCC2)P(c2cccc([Si](CCC)(CCC)CCC)c2)c2cccc([Si](CCC)(CCC)CCC)c2)cc1
InChIInChI=1S/C71H121NP2Si4/c1-13-25-55-77(56-26-14-2,57-27-15-3)68-45-41-64(42-46-68)73(65-43-47-69(48-44-65)78(58-28-16-4,59-29-17-5)60-30-18-6)72(63-35-31-32-36-63)74(66-37-33-39-70(61-66)75(49-19-7,50-20-8)51-21-9)67-38-34-40-71(62-67)76(52-22-10,53-23-11)54-24-12/h33-34,37-48,61-63H,13-32,35-36,49-60H2,1-12H3
InChIKeyYXXBDXBQVRJFBD-UHFFFAOYSA-N
XLogP20.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds41
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001163.05
LogP ≤ 520.21
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-bis(4-tributylsilylphenyl)phosphanyl-N-bis(3-tripropylsilylphenyl)phosphanylcyclopentanamine?
The IUPAC name of N-bis(4-tributylsilylphenyl)phosphanyl-N-bis(3-tripropylsilylphenyl)phosphanylcyclopentanamine (CID 171491143) is N-bis(4-tributylsilylphenyl)phosphanyl-N-bis(3-tripropylsilylphenyl)phosphanylcyclopentanamine.
What is the SMILES notation for N-bis(4-tributylsilylphenyl)phosphanyl-N-bis(3-tripropylsilylphenyl)phosphanylcyclopentanamine?
The canonical SMILES for N-bis(4-tributylsilylphenyl)phosphanyl-N-bis(3-tripropylsilylphenyl)phosphanylcyclopentanamine is CCCC[Si](CCCC)(CCCC)c1ccc(P(c2ccc([Si](CCCC)(CCCC)CCCC)cc2)N(C2CCCC2)P(c2cccc([Si](CCC)(CCC)CCC)c2)c2cccc([Si](CCC)(CCC)CCC)c2)cc1.
What is the InChIKey of N-bis(4-tributylsilylphenyl)phosphanyl-N-bis(3-tripropylsilylphenyl)phosphanylcyclopentanamine?
The InChIKey is YXXBDXBQVRJFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H121NP2Si4/c1-13-25-55-77(56-26-14-2,57-27-15-3)68-45-41-64(42-46-68)73(65-43-47-69(48-44-65)78(58-28-16-4,59-29-17-5)60-30-18-6)72(63-35-31-32-36-63)74(66-37-33-39-70(61-66)75(49-19-7,50-20-8)51-21-9)67-38-34-40-71(62-67)76(52-22-10,53-23-11)54-24-12/h33-34,37-48,61-63H,13-32,35-36,49-60H2,1-12H3.
What are the key properties of N-bis(4-tributylsilylphenyl)phosphanyl-N-bis(3-tripropylsilylphenyl)phosphanylcyclopentanamine?
N-bis(4-tributylsilylphenyl)phosphanyl-N-bis(3-tripropylsilylphenyl)phosphanylcyclopentanamine has a molecular weight of 1163.05 g/mol, XLogP of 20.21, 41 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(4-tributylsilylphenyl)phosphanyl-N-bis(3-tripropylsilylphenyl)phosphanylcyclopentanamine is sourced from PubChem (CID 171491143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).