dicyclopentyl-[1-(2-trimethylsilyloxynaphthalen-1-yl)naphthalen-2-yl]phosphane

C33H39OPSi — CID 23421226

IUPACdicyclopentyl-[1-(2-trimethylsilyloxynaphthalen-1-yl)naphthalen-2-yl]phosphane
SMILESC[Si](C)(C)Oc1ccc2ccccc2c1-c1c(P(C2CCCC2)C2CCCC2)ccc2ccccc12
InChIInChI=1S/C33H39OPSi/c1-36(2,3)34-30-22-20-24-12-4-10-18-28(24)32(30)33-29-19-11-5-13-25(29)21-23-31(33)35(26-14-6-7-15-26)27-16-8-9-17-27/h4-5,10-13,18-23,26-27H,6-9,14-17H2,1-3H3
InChIKeyMRHLHMOYBXMVRB-UHFFFAOYSA-N
MW510.73 g/mol
LogP9.87
Rot. Bonds6

About dicyclopentyl-[1-(2-trimethylsilyloxynaphthalen-1-yl)naphthalen-2-yl]phosphane

dicyclopentyl-[1-(2-trimethylsilyloxynaphthalen-1-yl)naphthalen-2-yl]phosphane (PubChem CID 23421226) has the molecular formula C33H39OPSi and a molecular weight of 510.73 g/mol. Its IUPAC name is dicyclopentyl-[1-(2-trimethylsilyloxynaphthalen-1-yl)naphthalen-2-yl]phosphane.

Molecular Properties

Compound Namedicyclopentyl-[1-(2-trimethylsilyloxynaphthalen-1-yl)naphthalen-2-yl]phosphane
PubChem CID23421226
Molecular FormulaC33H39OPSi
Molecular Weight510.73 g/mol
Exact Mass510.25
IUPAC Namedicyclopentyl-[1-(2-trimethylsilyloxynaphthalen-1-yl)naphthalen-2-yl]phosphane
SMILESC[Si](C)(C)Oc1ccc2ccccc2c1-c1c(P(C2CCCC2)C2CCCC2)ccc2ccccc12
InChIInChI=1S/C33H39OPSi/c1-36(2,3)34-30-22-20-24-12-4-10-18-28(24)32(30)33-29-19-11-5-13-25(29)21-23-31(33)35(26-14-6-7-15-26)27-16-8-9-17-27/h4-5,10-13,18-23,26-27H,6-9,14-17H2,1-3H3
InChIKeyMRHLHMOYBXMVRB-UHFFFAOYSA-N
XLogP9.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.73
LogP ≤ 59.87
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 dicyclopentyl-[1-(2-trimethylsilyloxynaphthalen-1-yl)naphthalen-2-yl]phosphane?
The IUPAC name of dicyclopentyl-[1-(2-trimethylsilyloxynaphthalen-1-yl)naphthalen-2-yl]phosphane (CID 23421226) is dicyclopentyl-[1-(2-trimethylsilyloxynaphthalen-1-yl)naphthalen-2-yl]phosphane.
What is the SMILES notation for dicyclopentyl-[1-(2-trimethylsilyloxynaphthalen-1-yl)naphthalen-2-yl]phosphane?
The canonical SMILES for dicyclopentyl-[1-(2-trimethylsilyloxynaphthalen-1-yl)naphthalen-2-yl]phosphane is C[Si](C)(C)Oc1ccc2ccccc2c1-c1c(P(C2CCCC2)C2CCCC2)ccc2ccccc12.
What is the InChIKey of dicyclopentyl-[1-(2-trimethylsilyloxynaphthalen-1-yl)naphthalen-2-yl]phosphane?
The InChIKey is MRHLHMOYBXMVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39OPSi/c1-36(2,3)34-30-22-20-24-12-4-10-18-28(24)32(30)33-29-19-11-5-13-25(29)21-23-31(33)35(26-14-6-7-15-26)27-16-8-9-17-27/h4-5,10-13,18-23,26-27H,6-9,14-17H2,1-3H3.
What are the key properties of dicyclopentyl-[1-(2-trimethylsilyloxynaphthalen-1-yl)naphthalen-2-yl]phosphane?
dicyclopentyl-[1-(2-trimethylsilyloxynaphthalen-1-yl)naphthalen-2-yl]phosphane has a molecular weight of 510.73 g/mol, XLogP of 9.87, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclopentyl-[1-(2-trimethylsilyloxynaphthalen-1-yl)naphthalen-2-yl]phosphane is sourced from PubChem (CID 23421226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).