dicyclohexyl-[[3-[[dicyclohexyl(trimethylsilylimino)-lambda5-phosphanyl]methyl]phenyl]methyl]-trimethylsilylimino-lambda5-phosphane

C38H70N2P2Si2 — CID 5251979

IUPACdicyclohexyl-[[3-[[dicyclohexyl(trimethylsilylimino)-lambda5-phosphanyl]methyl]phenyl]methyl]-trimethylsilylimino-lambda5-phosphane
SMILESC[Si](C)(C)N=P(Cc1cccc(CP(=N[Si](C)(C)C)(C2CCCCC2)C2CCCCC2)c1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C38H70N2P2Si2/c1-43(2,3)39-41(35-22-11-7-12-23-35,36-24-13-8-14-25-36)31-33-20-19-21-34(30-33)32-42(40-44(4,5)6,37-26-15-9-16-27-37)38-28-17-10-18-29-38/h19-21,30,35-38H,7-18,22-29,31-32H2,1-6H3
InChIKeyMACYBZDJKFXJTB-UHFFFAOYSA-N
MW673.11 g/mol
LogP14.09
Rot. Bonds10

About dicyclohexyl-[[3-[[dicyclohexyl(trimethylsilylimino)-lambda5-phosphanyl]methyl]phenyl]methyl]-trimethylsilylimino-lambda5-phosphane

dicyclohexyl-[[3-[[dicyclohexyl(trimethylsilylimino)-lambda5-phosphanyl]methyl]phenyl]methyl]-trimethylsilylimino-lambda5-phosphane (PubChem CID 5251979) has the molecular formula C38H70N2P2Si2 and a molecular weight of 673.11 g/mol. Its IUPAC name is dicyclohexyl-[[3-[[dicyclohexyl(trimethylsilylimino)-lambda5-phosphanyl]methyl]phenyl]methyl]-trimethylsilylimino-lambda5-phosphane.

Molecular Properties

Compound Namedicyclohexyl-[[3-[[dicyclohexyl(trimethylsilylimino)-lambda5-phosphanyl]methyl]phenyl]methyl]-trimethylsilylimino-lambda5-phosphane
PubChem CID5251979
Molecular FormulaC38H70N2P2Si2
Molecular Weight673.11 g/mol
Exact Mass672.46
IUPAC Namedicyclohexyl-[[3-[[dicyclohexyl(trimethylsilylimino)-lambda5-phosphanyl]methyl]phenyl]methyl]-trimethylsilylimino-lambda5-phosphane
SMILESC[Si](C)(C)N=P(Cc1cccc(CP(=N[Si](C)(C)C)(C2CCCCC2)C2CCCCC2)c1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C38H70N2P2Si2/c1-43(2,3)39-41(35-22-11-7-12-23-35,36-24-13-8-14-25-36)31-33-20-19-21-34(30-33)32-42(40-44(4,5)6,37-26-15-9-16-27-37)38-28-17-10-18-29-38/h19-21,30,35-38H,7-18,22-29,31-32H2,1-6H3
InChIKeyMACYBZDJKFXJTB-UHFFFAOYSA-N
XLogP14.09
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.11
LogP ≤ 514.09
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'}

Analyze dicyclohexyl-[[3-[[dicyclohexyl(trimethylsilylimino)-lambda5-phosphanyl]methyl]phenyl]methyl]-trimethylsilylimino-lambda5-phosphane with MolForge

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Related Compounds

bis[dicyclohexyl(trimethylsilylimino)-λ5-phosphanyl]methylidene-dichlorozirconium
CID 11967075
1-(5-cyclohexylpentyl)-3-ethylbenzene
CID 91406519
cycloheptanamine;phenylmethanamine
CID 162192852
carbanide;cyclopentyl-methylimino-diphenyl-λ5-phosphane;bis(methanidyl(trimethyl)silane);yttrium(3+)
CID 58140360
1-(2-cyclohexylethyl)-3-(2-methylpropyl)benzene
CID 154060470
carbanide;cyclopentyl-methylimino-diphenyl-λ5-phosphane;tris(methanidyl(trimethyl)silane);zirconium(4+)
CID 58140381
N-[[3-(methoxymethyl)phenyl]methyl]cyclooctanamine
CID 54896500
N-[[3-(methoxymethyl)phenyl]methyl]cyclohexanamine
CID 54896835
(R)-benzyl-cyclohexyl-methylphosphane
CID 15419907
(3-ethylphenoxy)cyclooctane
CID 91220327
N-cyclohexyl-3-ethylaniline
CID 11009024
1-[4-[benzyl(cyclohexyl)phosphoryl]phenyl]ethanone
CID 102488052

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[[3-[[dicyclohexyl(trimethylsilylimino)-lambda5-phosphanyl]methyl]phenyl]methyl]-trimethylsilylimino-lambda5-phosphane?
The IUPAC name of dicyclohexyl-[[3-[[dicyclohexyl(trimethylsilylimino)-lambda5-phosphanyl]methyl]phenyl]methyl]-trimethylsilylimino-lambda5-phosphane (CID 5251979) is dicyclohexyl-[[3-[[dicyclohexyl(trimethylsilylimino)-lambda5-phosphanyl]methyl]phenyl]methyl]-trimethylsilylimino-lambda5-phosphane.
What is the SMILES notation for dicyclohexyl-[[3-[[dicyclohexyl(trimethylsilylimino)-lambda5-phosphanyl]methyl]phenyl]methyl]-trimethylsilylimino-lambda5-phosphane?
The canonical SMILES for dicyclohexyl-[[3-[[dicyclohexyl(trimethylsilylimino)-lambda5-phosphanyl]methyl]phenyl]methyl]-trimethylsilylimino-lambda5-phosphane is C[Si](C)(C)N=P(Cc1cccc(CP(=N[Si](C)(C)C)(C2CCCCC2)C2CCCCC2)c1)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl-[[3-[[dicyclohexyl(trimethylsilylimino)-lambda5-phosphanyl]methyl]phenyl]methyl]-trimethylsilylimino-lambda5-phosphane?
The InChIKey is MACYBZDJKFXJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H70N2P2Si2/c1-43(2,3)39-41(35-22-11-7-12-23-35,36-24-13-8-14-25-36)31-33-20-19-21-34(30-33)32-42(40-44(4,5)6,37-26-15-9-16-27-37)38-28-17-10-18-29-38/h19-21,30,35-38H,7-18,22-29,31-32H2,1-6H3.
What are the key properties of dicyclohexyl-[[3-[[dicyclohexyl(trimethylsilylimino)-lambda5-phosphanyl]methyl]phenyl]methyl]-trimethylsilylimino-lambda5-phosphane?
dicyclohexyl-[[3-[[dicyclohexyl(trimethylsilylimino)-lambda5-phosphanyl]methyl]phenyl]methyl]-trimethylsilylimino-lambda5-phosphane has a molecular weight of 673.11 g/mol, XLogP of 14.09, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[[3-[[dicyclohexyl(trimethylsilylimino)-lambda5-phosphanyl]methyl]phenyl]methyl]-trimethylsilylimino-lambda5-phosphane is sourced from PubChem (CID 5251979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).