N-cyclohexyl-N-[(dicyclohexylamino)-[trimethylsilyl-(triphenyl-λ5-phosphanylidene)methyl]phosphanyl]cyclohexanamine

C46H68N2P2Si — CID 101019815

IUPACN-cyclohexyl-N-[(dicyclohexylamino)-[trimethylsilyl-(triphenyl-λ5-phosphanylidene)methyl]phosphanyl]cyclohexanamine
SMILESC[Si](C)(C)C(P(N(C1CCCCC1)C1CCCCC1)N(C1CCCCC1)C1CCCCC1)=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C46H68N2P2Si/c1-51(2,3)46(50(43-33-19-8-20-34-43,44-35-21-9-22-36-44)45-37-23-10-24-38-45)49(47(39-25-11-4-12-26-39)40-27-13-5-14-28-40)48(41-29-15-6-16-30-41)42-31-17-7-18-32-42/h8-10,19-24,33-42H,4-7,11-18,25-32H2,1-3H3
InChIKeyXENKAHFRGLCJJC-UHFFFAOYSA-N
MW739.10 g/mol
LogP12.23
Rot. Bonds11

About N-cyclohexyl-N-[(dicyclohexylamino)-[trimethylsilyl-(triphenyl-λ5-phosphanylidene)methyl]phosphanyl]cyclohexanamine

N-cyclohexyl-N-[(dicyclohexylamino)-[trimethylsilyl-(triphenyl-λ5-phosphanylidene)methyl]phosphanyl]cyclohexanamine (PubChem CID 101019815) has the molecular formula C46H68N2P2Si and a molecular weight of 739.10 g/mol. Its IUPAC name is N-cyclohexyl-N-[(dicyclohexylamino)-[trimethylsilyl-(triphenyl-λ5-phosphanylidene)methyl]phosphanyl]cyclohexanamine.

Molecular Properties

Compound NameN-cyclohexyl-N-[(dicyclohexylamino)-[trimethylsilyl-(triphenyl-λ5-phosphanylidene)methyl]phosphanyl]cyclohexanamine
PubChem CID101019815
Molecular FormulaC46H68N2P2Si
Molecular Weight739.10 g/mol
Exact Mass738.46
IUPAC NameN-cyclohexyl-N-[(dicyclohexylamino)-[trimethylsilyl-(triphenyl-λ5-phosphanylidene)methyl]phosphanyl]cyclohexanamine
SMILESC[Si](C)(C)C(P(N(C1CCCCC1)C1CCCCC1)N(C1CCCCC1)C1CCCCC1)=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C46H68N2P2Si/c1-51(2,3)46(50(43-33-19-8-20-34-43,44-35-21-9-22-36-44)45-37-23-10-24-38-45)49(47(39-25-11-4-12-26-39)40-27-13-5-14-28-40)48(41-29-15-6-16-30-41)42-31-17-7-18-32-42/h8-10,19-24,33-42H,4-7,11-18,25-32H2,1-3H3
InChIKeyXENKAHFRGLCJJC-UHFFFAOYSA-N
XLogP12.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.10
LogP ≤ 512.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-cyclohexyl-N-[(dicyclohexylamino)-[trimethylsilyl-(triphenyl-λ5-phosphanylidene)methyl]phosphanyl]cyclohexanamine?
The IUPAC name of N-cyclohexyl-N-[(dicyclohexylamino)-[trimethylsilyl-(triphenyl-λ5-phosphanylidene)methyl]phosphanyl]cyclohexanamine (CID 101019815) is N-cyclohexyl-N-[(dicyclohexylamino)-[trimethylsilyl-(triphenyl-λ5-phosphanylidene)methyl]phosphanyl]cyclohexanamine.
What is the SMILES notation for N-cyclohexyl-N-[(dicyclohexylamino)-[trimethylsilyl-(triphenyl-λ5-phosphanylidene)methyl]phosphanyl]cyclohexanamine?
The canonical SMILES for N-cyclohexyl-N-[(dicyclohexylamino)-[trimethylsilyl-(triphenyl-λ5-phosphanylidene)methyl]phosphanyl]cyclohexanamine is C[Si](C)(C)C(P(N(C1CCCCC1)C1CCCCC1)N(C1CCCCC1)C1CCCCC1)=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-cyclohexyl-N-[(dicyclohexylamino)-[trimethylsilyl-(triphenyl-λ5-phosphanylidene)methyl]phosphanyl]cyclohexanamine?
The InChIKey is XENKAHFRGLCJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H68N2P2Si/c1-51(2,3)46(50(43-33-19-8-20-34-43,44-35-21-9-22-36-44)45-37-23-10-24-38-45)49(47(39-25-11-4-12-26-39)40-27-13-5-14-28-40)48(41-29-15-6-16-30-41)42-31-17-7-18-32-42/h8-10,19-24,33-42H,4-7,11-18,25-32H2,1-3H3.
What are the key properties of N-cyclohexyl-N-[(dicyclohexylamino)-[trimethylsilyl-(triphenyl-λ5-phosphanylidene)methyl]phosphanyl]cyclohexanamine?
N-cyclohexyl-N-[(dicyclohexylamino)-[trimethylsilyl-(triphenyl-λ5-phosphanylidene)methyl]phosphanyl]cyclohexanamine has a molecular weight of 739.10 g/mol, XLogP of 12.23, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[(dicyclohexylamino)-[trimethylsilyl-(triphenyl-λ5-phosphanylidene)methyl]phosphanyl]cyclohexanamine is sourced from PubChem (CID 101019815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).