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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Related Compounds

N-phenyl-N-(4-trimethylsilylphenyl)-4-[6-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]benzo[e]pyren-3-yl]aniline
CID 123737685
N,N-diphenyl-4-[12-[4-(N-phenylanilino)phenyl]-3,9-bis(trimethylsilyl)chrysen-6-yl]aniline
CID 58879315
4-(2,5-diphenylphenyl)-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-[2-phenyl-5-(4-trimethylsilylphenyl)phenyl]phenyl]aniline
CID 58132006
N,N-diphenyl-4-[4-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]phenyl]aniline;N,4-diphenyl-N-[4-[4-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]phenyl]phenyl]aniline;4-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-trimethylsilylphenyl)aniline
CID 165073252
N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-3-(4-trimethylsilylphenyl)aniline
CID 165066954
N-phenyl-N-(4-trimethylsilylphenyl)-4-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine
CID 140868277
N,N-bis(4-trimethylsilylphenyl)-4-[10-[3-[10-[4-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]aniline
CID 59194308
3,8-diphenyl-1-N,6-N-bis(4-phenylphenyl)-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine
CID 58383859
4-[4-(4-chlorophenyl)-2,5-diphenylphenyl]-N,N-diphenylaniline
CID 176611385
4-(3-naphthalen-1-yl-4-phenylphenyl)-N,N-diphenylaniline
CID 164831564
6,12-diphenyl-2-N,2-N,8-N,8-N-tetrakis(4-trimethylsilylphenyl)chrysene-2,8-diamine
CID 59718300
N-phenyl-N-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-5-trimethylsilylpyridin-2-amine
CID 59390751

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).