4-[5-(4-chloro-2-methoxyphenyl)-8-methoxynaphthalen-1-yl]-N-phenyl-N-(4-trimethylsilylphenyl)aniline

C39H36ClNO2Si — CID 140818666

IUPAC4-[5-(4-chloro-2-methoxyphenyl)-8-methoxynaphthalen-1-yl]-N-phenyl-N-(4-trimethylsilylphenyl)aniline
SMILESCOc1cc(Cl)ccc1-c1ccc(OC)c2c(-c3ccc(N(c4ccccc4)c4ccc([Si](C)(C)C)cc4)cc3)cccc12
InChIInChI=1S/C39H36ClNO2Si/c1-42-37-25-24-34(35-23-16-28(40)26-38(35)43-2)36-13-9-12-33(39(36)37)27-14-17-30(18-15-27)41(29-10-7-6-8-11-29)31-19-21-32(22-20-31)44(3,4)5/h6-26H,1-5H3
InChIKeyARPWDDSNKMSERG-UHFFFAOYSA-N
MW614.26 g/mol
LogP10.86
Rot. Bonds8

About 4-[5-(4-chloro-2-methoxyphenyl)-8-methoxynaphthalen-1-yl]-N-phenyl-N-(4-trimethylsilylphenyl)aniline

4-[5-(4-chloro-2-methoxyphenyl)-8-methoxynaphthalen-1-yl]-N-phenyl-N-(4-trimethylsilylphenyl)aniline (PubChem CID 140818666) has the molecular formula C39H36ClNO2Si and a molecular weight of 614.26 g/mol. Its IUPAC name is 4-[5-(4-chloro-2-methoxyphenyl)-8-methoxynaphthalen-1-yl]-N-phenyl-N-(4-trimethylsilylphenyl)aniline.

Molecular Properties

Compound Name4-[5-(4-chloro-2-methoxyphenyl)-8-methoxynaphthalen-1-yl]-N-phenyl-N-(4-trimethylsilylphenyl)aniline
PubChem CID140818666
Molecular FormulaC39H36ClNO2Si
Molecular Weight614.26 g/mol
Exact Mass613.22
IUPAC Name4-[5-(4-chloro-2-methoxyphenyl)-8-methoxynaphthalen-1-yl]-N-phenyl-N-(4-trimethylsilylphenyl)aniline
SMILESCOc1cc(Cl)ccc1-c1ccc(OC)c2c(-c3ccc(N(c4ccccc4)c4ccc([Si](C)(C)C)cc4)cc3)cccc12
InChIInChI=1S/C39H36ClNO2Si/c1-42-37-25-24-34(35-23-16-28(40)26-38(35)43-2)36-13-9-12-33(39(36)37)27-14-17-30(18-15-27)41(29-10-7-6-8-11-29)31-19-21-32(22-20-31)44(3,4)5/h6-26H,1-5H3
InChIKeyARPWDDSNKMSERG-UHFFFAOYSA-N
XLogP10.86
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.26
LogP ≤ 510.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chloro-2-methoxyphenyl)-8-methoxynaphthalen-1-yl]-N-phenyl-N-(4-trimethylsilylphenyl)aniline?
The IUPAC name of 4-[5-(4-chloro-2-methoxyphenyl)-8-methoxynaphthalen-1-yl]-N-phenyl-N-(4-trimethylsilylphenyl)aniline (CID 140818666) is 4-[5-(4-chloro-2-methoxyphenyl)-8-methoxynaphthalen-1-yl]-N-phenyl-N-(4-trimethylsilylphenyl)aniline.
What is the SMILES notation for 4-[5-(4-chloro-2-methoxyphenyl)-8-methoxynaphthalen-1-yl]-N-phenyl-N-(4-trimethylsilylphenyl)aniline?
The canonical SMILES for 4-[5-(4-chloro-2-methoxyphenyl)-8-methoxynaphthalen-1-yl]-N-phenyl-N-(4-trimethylsilylphenyl)aniline is COc1cc(Cl)ccc1-c1ccc(OC)c2c(-c3ccc(N(c4ccccc4)c4ccc([Si](C)(C)C)cc4)cc3)cccc12.
What is the InChIKey of 4-[5-(4-chloro-2-methoxyphenyl)-8-methoxynaphthalen-1-yl]-N-phenyl-N-(4-trimethylsilylphenyl)aniline?
The InChIKey is ARPWDDSNKMSERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H36ClNO2Si/c1-42-37-25-24-34(35-23-16-28(40)26-38(35)43-2)36-13-9-12-33(39(36)37)27-14-17-30(18-15-27)41(29-10-7-6-8-11-29)31-19-21-32(22-20-31)44(3,4)5/h6-26H,1-5H3.
What are the key properties of 4-[5-(4-chloro-2-methoxyphenyl)-8-methoxynaphthalen-1-yl]-N-phenyl-N-(4-trimethylsilylphenyl)aniline?
4-[5-(4-chloro-2-methoxyphenyl)-8-methoxynaphthalen-1-yl]-N-phenyl-N-(4-trimethylsilylphenyl)aniline has a molecular weight of 614.26 g/mol, XLogP of 10.86, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chloro-2-methoxyphenyl)-8-methoxynaphthalen-1-yl]-N-phenyl-N-(4-trimethylsilylphenyl)aniline is sourced from PubChem (CID 140818666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).