3-methyl-N-[4-[2-[6-[4-(N-(3-methylphenyl)-4-trimethylsilylanilino)phenyl]quinolin-2-yl]ethenyl]phenyl]-N-(4-trimethylsilylphenyl)aniline

C55H55N3Si2 — CID 76787910

IUPAC3-methyl-N-[4-[2-[6-[4-(N-(3-methylphenyl)-4-trimethylsilylanilino)phenyl]quinolin-2-yl]ethenyl]phenyl]-N-(4-trimethylsilylphenyl)aniline
SMILESCc1cccc(N(c2ccc(C=Cc3ccc4cc(-c5ccc(N(c6ccc([Si](C)(C)C)cc6)c6cccc(C)c6)cc5)ccc4n3)cc2)c2ccc([Si](C)(C)C)cc2)c1
InChIInChI=1S/C55H55N3Si2/c1-40-11-9-13-51(37-40)57(49-28-32-53(33-29-49)59(3,4)5)47-24-16-42(17-25-47)15-22-46-23-18-45-39-44(21-36-55(45)56-46)43-19-26-48(27-20-43)58(52-14-10-12-41(2)38-52)50-30-34-54(35-31-50)60(6,7)8/h9-39H,1-8H3
InChIKeyVVYJAJGJVHPOHP-UHFFFAOYSA-N
MW814.24 g/mol
LogP14.72
Rot. Bonds11

About 3-methyl-N-[4-[2-[6-[4-(N-(3-methylphenyl)-4-trimethylsilylanilino)phenyl]quinolin-2-yl]ethenyl]phenyl]-N-(4-trimethylsilylphenyl)aniline

3-methyl-N-[4-[2-[6-[4-(N-(3-methylphenyl)-4-trimethylsilylanilino)phenyl]quinolin-2-yl]ethenyl]phenyl]-N-(4-trimethylsilylphenyl)aniline (PubChem CID 76787910) has the molecular formula C55H55N3Si2 and a molecular weight of 814.24 g/mol. Its IUPAC name is 3-methyl-N-[4-[2-[6-[4-(N-(3-methylphenyl)-4-trimethylsilylanilino)phenyl]quinolin-2-yl]ethenyl]phenyl]-N-(4-trimethylsilylphenyl)aniline.

Molecular Properties

Compound Name3-methyl-N-[4-[2-[6-[4-(N-(3-methylphenyl)-4-trimethylsilylanilino)phenyl]quinolin-2-yl]ethenyl]phenyl]-N-(4-trimethylsilylphenyl)aniline
PubChem CID76787910
Molecular FormulaC55H55N3Si2
Molecular Weight814.24 g/mol
Exact Mass813.39
IUPAC Name3-methyl-N-[4-[2-[6-[4-(N-(3-methylphenyl)-4-trimethylsilylanilino)phenyl]quinolin-2-yl]ethenyl]phenyl]-N-(4-trimethylsilylphenyl)aniline
SMILESCc1cccc(N(c2ccc(C=Cc3ccc4cc(-c5ccc(N(c6ccc([Si](C)(C)C)cc6)c6cccc(C)c6)cc5)ccc4n3)cc2)c2ccc([Si](C)(C)C)cc2)c1
InChIInChI=1S/C55H55N3Si2/c1-40-11-9-13-51(37-40)57(49-28-32-53(33-29-49)59(3,4)5)47-24-16-42(17-25-47)15-22-46-23-18-45-39-44(21-36-55(45)56-46)43-19-26-48(27-20-43)58(52-14-10-12-41(2)38-52)50-30-34-54(35-31-50)60(6,7)8/h9-39H,1-8H3
InChIKeyVVYJAJGJVHPOHP-UHFFFAOYSA-N
XLogP14.72
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.24
LogP ≤ 514.72
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

3-methyl-N-(3-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]aniline
CID 90810762
3-methyl-N-(3-methylphenyl)-N-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]aniline
CID 89068114
3-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 91343059
3-methyl-N-(4-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]aniline
CID 89068068
3-methyl-N-[4-[2-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(3-methylphenyl)aniline
CID 59938925
N-[4-[2-[4-(N-(3-methylphenyl)-4-phenylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 91011081
N-[4-[4-[(E)-2-[4-[4-(4-tert-butyl-N-(3-methylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-N-(4-tert-butylphenyl)-3-methylaniline
CID 89067945
N,N-dimethyl-4-[(E)-2-(6-methylquinolin-2-yl)ethenyl]aniline
CID 40700748
6-[4-[2-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]quinolin-6-yl]phenyl]-N,N-bis(4-methylphenyl)pyridin-3-amine
CID 76600727
3-methyl-4-[2-[4-[2-[2-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(3-methylphenyl)aniline
CID 59920425
N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-3-(4-trimethylsilylphenyl)aniline
CID 165066954
N-(3-methylphenyl)-N-[4-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine
CID 91284836

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[2-[6-[4-(N-(3-methylphenyl)-4-trimethylsilylanilino)phenyl]quinolin-2-yl]ethenyl]phenyl]-N-(4-trimethylsilylphenyl)aniline?
The IUPAC name of 3-methyl-N-[4-[2-[6-[4-(N-(3-methylphenyl)-4-trimethylsilylanilino)phenyl]quinolin-2-yl]ethenyl]phenyl]-N-(4-trimethylsilylphenyl)aniline (CID 76787910) is 3-methyl-N-[4-[2-[6-[4-(N-(3-methylphenyl)-4-trimethylsilylanilino)phenyl]quinolin-2-yl]ethenyl]phenyl]-N-(4-trimethylsilylphenyl)aniline.
What is the SMILES notation for 3-methyl-N-[4-[2-[6-[4-(N-(3-methylphenyl)-4-trimethylsilylanilino)phenyl]quinolin-2-yl]ethenyl]phenyl]-N-(4-trimethylsilylphenyl)aniline?
The canonical SMILES for 3-methyl-N-[4-[2-[6-[4-(N-(3-methylphenyl)-4-trimethylsilylanilino)phenyl]quinolin-2-yl]ethenyl]phenyl]-N-(4-trimethylsilylphenyl)aniline is Cc1cccc(N(c2ccc(C=Cc3ccc4cc(-c5ccc(N(c6ccc([Si](C)(C)C)cc6)c6cccc(C)c6)cc5)ccc4n3)cc2)c2ccc([Si](C)(C)C)cc2)c1.
What is the InChIKey of 3-methyl-N-[4-[2-[6-[4-(N-(3-methylphenyl)-4-trimethylsilylanilino)phenyl]quinolin-2-yl]ethenyl]phenyl]-N-(4-trimethylsilylphenyl)aniline?
The InChIKey is VVYJAJGJVHPOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H55N3Si2/c1-40-11-9-13-51(37-40)57(49-28-32-53(33-29-49)59(3,4)5)47-24-16-42(17-25-47)15-22-46-23-18-45-39-44(21-36-55(45)56-46)43-19-26-48(27-20-43)58(52-14-10-12-41(2)38-52)50-30-34-54(35-31-50)60(6,7)8/h9-39H,1-8H3.
What are the key properties of 3-methyl-N-[4-[2-[6-[4-(N-(3-methylphenyl)-4-trimethylsilylanilino)phenyl]quinolin-2-yl]ethenyl]phenyl]-N-(4-trimethylsilylphenyl)aniline?
3-methyl-N-[4-[2-[6-[4-(N-(3-methylphenyl)-4-trimethylsilylanilino)phenyl]quinolin-2-yl]ethenyl]phenyl]-N-(4-trimethylsilylphenyl)aniline has a molecular weight of 814.24 g/mol, XLogP of 14.72, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[2-[6-[4-(N-(3-methylphenyl)-4-trimethylsilylanilino)phenyl]quinolin-2-yl]ethenyl]phenyl]-N-(4-trimethylsilylphenyl)aniline is sourced from PubChem (CID 76787910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).