3-[3-(N-[4-[ethoxy(dimethyl)silyl]phenyl]-4-methylanilino)phenyl]-N,N-bis(4-methylphenyl)aniline

C43H44N2OSi — CID 54503683

IUPAC3-[3-(N-[4-[ethoxy(dimethyl)silyl]phenyl]-4-methylanilino)phenyl]-N,N-bis(4-methylphenyl)aniline
SMILESCCO[Si](C)(C)c1ccc(N(c2ccc(C)cc2)c2cccc(-c3cccc(N(c4ccc(C)cc4)c4ccc(C)cc4)c3)c2)cc1
InChIInChI=1S/C43H44N2OSi/c1-7-46-47(5,6)43-28-26-40(27-29-43)45(39-24-18-34(4)19-25-39)42-13-9-11-36(31-42)35-10-8-12-41(30-35)44(37-20-14-32(2)15-21-37)38-22-16-33(3)17-23-38/h8-31H,7H2,1-6H3
InChIKeyYEEZMDUOYSVVLI-UHFFFAOYSA-N
MW632.92 g/mol
LogP11.67
Rot. Bonds10

About 3-[3-(N-[4-[ethoxy(dimethyl)silyl]phenyl]-4-methylanilino)phenyl]-N,N-bis(4-methylphenyl)aniline

3-[3-(N-[4-[ethoxy(dimethyl)silyl]phenyl]-4-methylanilino)phenyl]-N,N-bis(4-methylphenyl)aniline (PubChem CID 54503683) has the molecular formula C43H44N2OSi and a molecular weight of 632.92 g/mol. Its IUPAC name is 3-[3-(N-[4-[ethoxy(dimethyl)silyl]phenyl]-4-methylanilino)phenyl]-N,N-bis(4-methylphenyl)aniline.

Molecular Properties

Compound Name3-[3-(N-[4-[ethoxy(dimethyl)silyl]phenyl]-4-methylanilino)phenyl]-N,N-bis(4-methylphenyl)aniline
PubChem CID54503683
Molecular FormulaC43H44N2OSi
Molecular Weight632.92 g/mol
Exact Mass632.32
IUPAC Name3-[3-(N-[4-[ethoxy(dimethyl)silyl]phenyl]-4-methylanilino)phenyl]-N,N-bis(4-methylphenyl)aniline
SMILESCCO[Si](C)(C)c1ccc(N(c2ccc(C)cc2)c2cccc(-c3cccc(N(c4ccc(C)cc4)c4ccc(C)cc4)c3)c2)cc1
InChIInChI=1S/C43H44N2OSi/c1-7-46-47(5,6)43-28-26-40(27-29-43)45(39-24-18-34(4)19-25-39)42-13-9-11-36(31-42)35-10-8-12-41(30-35)44(37-20-14-32(2)15-21-37)38-22-16-33(3)17-23-38/h8-31H,7H2,1-6H3
InChIKeyYEEZMDUOYSVVLI-UHFFFAOYSA-N
XLogP11.67
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.92
LogP ≤ 511.67
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-(4-methylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 58410428
1-N-(4-methylphenyl)-4-N-[4-[4-[3-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 22944759
N,N-bis(4-methylphenyl)-3-phenylaniline
CID 140818331
N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-3-(4-trimethylsilylphenyl)aniline
CID 165066954
3-[2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline
CID 67071863
N-[4-[4-(N-[4-[methoxy(dimethyl)silyl]phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 54214598
N-[4-[methoxy(dimethyl)silyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 22620902
3-[3-chloro-5-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline
CID 118448588
N,N-diphenyl-3-[3-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;ethane
CID 159114076
4-[4-(4-methyl-N-(4-methylphenyl)anilino)-2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenoxy]-3-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline
CID 57041679
N,N-diphenyl-3-[4-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline;N,N-diphenyl-3-[4-[3-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 159305688
N,3-diphenyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 22013506

Frequently Asked Questions

What is the IUPAC name of 3-[3-(N-[4-[ethoxy(dimethyl)silyl]phenyl]-4-methylanilino)phenyl]-N,N-bis(4-methylphenyl)aniline?
The IUPAC name of 3-[3-(N-[4-[ethoxy(dimethyl)silyl]phenyl]-4-methylanilino)phenyl]-N,N-bis(4-methylphenyl)aniline (CID 54503683) is 3-[3-(N-[4-[ethoxy(dimethyl)silyl]phenyl]-4-methylanilino)phenyl]-N,N-bis(4-methylphenyl)aniline.
What is the SMILES notation for 3-[3-(N-[4-[ethoxy(dimethyl)silyl]phenyl]-4-methylanilino)phenyl]-N,N-bis(4-methylphenyl)aniline?
The canonical SMILES for 3-[3-(N-[4-[ethoxy(dimethyl)silyl]phenyl]-4-methylanilino)phenyl]-N,N-bis(4-methylphenyl)aniline is CCO[Si](C)(C)c1ccc(N(c2ccc(C)cc2)c2cccc(-c3cccc(N(c4ccc(C)cc4)c4ccc(C)cc4)c3)c2)cc1.
What is the InChIKey of 3-[3-(N-[4-[ethoxy(dimethyl)silyl]phenyl]-4-methylanilino)phenyl]-N,N-bis(4-methylphenyl)aniline?
The InChIKey is YEEZMDUOYSVVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H44N2OSi/c1-7-46-47(5,6)43-28-26-40(27-29-43)45(39-24-18-34(4)19-25-39)42-13-9-11-36(31-42)35-10-8-12-41(30-35)44(37-20-14-32(2)15-21-37)38-22-16-33(3)17-23-38/h8-31H,7H2,1-6H3.
What are the key properties of 3-[3-(N-[4-[ethoxy(dimethyl)silyl]phenyl]-4-methylanilino)phenyl]-N,N-bis(4-methylphenyl)aniline?
3-[3-(N-[4-[ethoxy(dimethyl)silyl]phenyl]-4-methylanilino)phenyl]-N,N-bis(4-methylphenyl)aniline has a molecular weight of 632.92 g/mol, XLogP of 11.67, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(N-[4-[ethoxy(dimethyl)silyl]phenyl]-4-methylanilino)phenyl]-N,N-bis(4-methylphenyl)aniline is sourced from PubChem (CID 54503683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).