diphenyl-[1-(2-trihexylsilylnaphthalen-1-yl)naphthalen-2-yl]phosphane

C50H61PSi — CID 170896910

IUPACdiphenyl-[1-(2-trihexylsilylnaphthalen-1-yl)naphthalen-2-yl]phosphane
SMILESCCCCCC[Si](CCCCCC)(CCCCCC)c1ccc2ccccc2c1-c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C50H61PSi/c1-4-7-10-23-38-52(39-24-11-8-5-2,40-25-12-9-6-3)48-37-35-42-27-20-22-33-46(42)50(48)49-45-32-21-19-26-41(45)34-36-47(49)51(43-28-15-13-16-29-43)44-30-17-14-18-31-44/h13-22,26-37H,4-12,23-25,38-40H2,1-3H3
InChIKeyIBKYKVMSPQSYDT-UHFFFAOYSA-N
MW721.10 g/mol
LogP13.81
Rot. Bonds20

About diphenyl-[1-(2-trihexylsilylnaphthalen-1-yl)naphthalen-2-yl]phosphane

diphenyl-[1-(2-trihexylsilylnaphthalen-1-yl)naphthalen-2-yl]phosphane (PubChem CID 170896910) has the molecular formula C50H61PSi and a molecular weight of 721.10 g/mol. Its IUPAC name is diphenyl-[1-(2-trihexylsilylnaphthalen-1-yl)naphthalen-2-yl]phosphane.

Molecular Properties

Compound Namediphenyl-[1-(2-trihexylsilylnaphthalen-1-yl)naphthalen-2-yl]phosphane
PubChem CID170896910
Molecular FormulaC50H61PSi
Molecular Weight721.10 g/mol
Exact Mass720.43
IUPAC Namediphenyl-[1-(2-trihexylsilylnaphthalen-1-yl)naphthalen-2-yl]phosphane
SMILESCCCCCC[Si](CCCCCC)(CCCCCC)c1ccc2ccccc2c1-c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C50H61PSi/c1-4-7-10-23-38-52(39-24-11-8-5-2,40-25-12-9-6-3)48-37-35-42-27-20-22-33-46(42)50(48)49-45-32-21-19-26-41(45)34-36-47(49)51(43-28-15-13-16-29-43)44-30-17-14-18-31-44/h13-22,26-37H,4-12,23-25,38-40H2,1-3H3
InChIKeyIBKYKVMSPQSYDT-UHFFFAOYSA-N
XLogP13.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.10
LogP ≤ 513.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 diphenyl-[1-(2-trihexylsilylnaphthalen-1-yl)naphthalen-2-yl]phosphane?
The IUPAC name of diphenyl-[1-(2-trihexylsilylnaphthalen-1-yl)naphthalen-2-yl]phosphane (CID 170896910) is diphenyl-[1-(2-trihexylsilylnaphthalen-1-yl)naphthalen-2-yl]phosphane.
What is the SMILES notation for diphenyl-[1-(2-trihexylsilylnaphthalen-1-yl)naphthalen-2-yl]phosphane?
The canonical SMILES for diphenyl-[1-(2-trihexylsilylnaphthalen-1-yl)naphthalen-2-yl]phosphane is CCCCCC[Si](CCCCCC)(CCCCCC)c1ccc2ccccc2c1-c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12.
What is the InChIKey of diphenyl-[1-(2-trihexylsilylnaphthalen-1-yl)naphthalen-2-yl]phosphane?
The InChIKey is IBKYKVMSPQSYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H61PSi/c1-4-7-10-23-38-52(39-24-11-8-5-2,40-25-12-9-6-3)48-37-35-42-27-20-22-33-46(42)50(48)49-45-32-21-19-26-41(45)34-36-47(49)51(43-28-15-13-16-29-43)44-30-17-14-18-31-44/h13-22,26-37H,4-12,23-25,38-40H2,1-3H3.
What are the key properties of diphenyl-[1-(2-trihexylsilylnaphthalen-1-yl)naphthalen-2-yl]phosphane?
diphenyl-[1-(2-trihexylsilylnaphthalen-1-yl)naphthalen-2-yl]phosphane has a molecular weight of 721.10 g/mol, XLogP of 13.81, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[1-(2-trihexylsilylnaphthalen-1-yl)naphthalen-2-yl]phosphane is sourced from PubChem (CID 170896910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).