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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-methyl-phenylphosphane
CID 11981183
bis([1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane);bis(rhodium);dihydrate
CID 73162021
[1-[2-[(E)-dec-5-en-5-yl]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane
CID 164669483
[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
CID 21335175
carbon monoxide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;rhodium
CID 139254479
diethylazanide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(2+);chloride
CID 54759317
[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(1+);acetate
CID 21202945
diphenyl-[1-(2-phosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane
CID 59732549
3-[butyl(dioctyl)silyl]-1-[3-[butyl(dioctyl)silyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
CID 162426747
benzene;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;(1R,2R)-1-diphenylphosphanyl-1-phenylpropan-2-amine;hydride;pentane;ruthenium(2+);chloride
CID 139096369
[1-(3,6-dimethylpyrazin-2-yl)naphthalen-2-yl]-diphenylphosphane
CID 15430391
[1-[2-[(E)-hex-3-en-3-yl]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane
CID 164669467

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).