N-phenyl-N-(3-trimethylsilylphenyl)-6-[4-[(E)-2-[4-[4-(N-(3-trimethylsilylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]pyridin-3-amine

C55H53N3Si2 — CID 58511481

IUPACN-phenyl-N-(3-trimethylsilylphenyl)-6-[4-[(E)-2-[4-[4-(N-(3-trimethylsilylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]pyridin-3-amine
SMILESC[Si](C)(C)c1cccc(N(c2ccccc2)c2ccc(-c3ccc(/C=C/c4ccc(-c5ccc(N(c6ccccc6)c6cccc([Si](C)(C)C)c6)cn5)cc4)cc3)cc2)c1
InChIInChI=1S/C55H53N3Si2/c1-59(2,3)53-21-13-19-50(39-53)57(47-15-9-7-10-16-47)49-35-33-45(34-36-49)44-29-25-42(26-30-44)23-24-43-27-31-46(32-28-43)55-38-37-52(41-56-55)58(48-17-11-8-12-18-48)51-20-14-22-54(40-51)60(4,5)6/h7-41H,1-6H3/b24-23+
InChIKeyZTWGDOFEJZYZDK-WCWDXBQESA-N
MW812.22 g/mol
LogP14.62
Rot. Bonds12

About N-phenyl-N-(3-trimethylsilylphenyl)-6-[4-[(E)-2-[4-[4-(N-(3-trimethylsilylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]pyridin-3-amine

N-phenyl-N-(3-trimethylsilylphenyl)-6-[4-[(E)-2-[4-[4-(N-(3-trimethylsilylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]pyridin-3-amine (PubChem CID 58511481) has the molecular formula C55H53N3Si2 and a molecular weight of 812.22 g/mol. Its IUPAC name is N-phenyl-N-(3-trimethylsilylphenyl)-6-[4-[(E)-2-[4-[4-(N-(3-trimethylsilylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]pyridin-3-amine.

Molecular Properties

Compound NameN-phenyl-N-(3-trimethylsilylphenyl)-6-[4-[(E)-2-[4-[4-(N-(3-trimethylsilylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]pyridin-3-amine
PubChem CID58511481
Molecular FormulaC55H53N3Si2
Molecular Weight812.22 g/mol
Exact Mass811.38
IUPAC NameN-phenyl-N-(3-trimethylsilylphenyl)-6-[4-[(E)-2-[4-[4-(N-(3-trimethylsilylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]pyridin-3-amine
SMILESC[Si](C)(C)c1cccc(N(c2ccccc2)c2ccc(-c3ccc(/C=C/c4ccc(-c5ccc(N(c6ccccc6)c6cccc([Si](C)(C)C)c6)cn5)cc4)cc3)cc2)c1
InChIInChI=1S/C55H53N3Si2/c1-59(2,3)53-21-13-19-50(39-53)57(47-15-9-7-10-16-47)49-35-33-45(34-36-49)44-29-25-42(26-30-44)23-24-43-27-31-46(32-28-43)55-38-37-52(41-56-55)58(48-17-11-8-12-18-48)51-20-14-22-54(40-51)60(4,5)6/h7-41H,1-6H3/b24-23+
InChIKeyZTWGDOFEJZYZDK-WCWDXBQESA-N
XLogP14.62
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.22
LogP ≤ 514.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'stilbene', '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
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
N-[4-(4-bromophenyl)phenyl]-N,6-diphenylpyridin-3-amine
CID 134182572
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-[2-(4-methylphenyl)ethenyl]-N-[4-[4-(N-[4-[2-(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59987783
N-phenyl-N-(4-phenylphenyl)-4-[(E)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethenyl]aniline
CID 58715854
1-N-phenyl-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-N-[4-[(E)-2-phenylethenyl]phenyl]-4-N-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]benzene-1,4-diamine
CID 22983495
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-4-[(E)-2-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]ethenyl]aniline
CID 59533083
1-N-phenyl-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-N-[4-(2-phenylethenyl)phenyl]-4-N-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 59048165
N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-3-(4-trimethylsilylphenyl)aniline
CID 165066954

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(3-trimethylsilylphenyl)-6-[4-[(E)-2-[4-[4-(N-(3-trimethylsilylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]pyridin-3-amine?
The IUPAC name of N-phenyl-N-(3-trimethylsilylphenyl)-6-[4-[(E)-2-[4-[4-(N-(3-trimethylsilylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]pyridin-3-amine (CID 58511481) is N-phenyl-N-(3-trimethylsilylphenyl)-6-[4-[(E)-2-[4-[4-(N-(3-trimethylsilylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]pyridin-3-amine.
What is the SMILES notation for N-phenyl-N-(3-trimethylsilylphenyl)-6-[4-[(E)-2-[4-[4-(N-(3-trimethylsilylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]pyridin-3-amine?
The canonical SMILES for N-phenyl-N-(3-trimethylsilylphenyl)-6-[4-[(E)-2-[4-[4-(N-(3-trimethylsilylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]pyridin-3-amine is C[Si](C)(C)c1cccc(N(c2ccccc2)c2ccc(-c3ccc(/C=C/c4ccc(-c5ccc(N(c6ccccc6)c6cccc([Si](C)(C)C)c6)cn5)cc4)cc3)cc2)c1.
What is the InChIKey of N-phenyl-N-(3-trimethylsilylphenyl)-6-[4-[(E)-2-[4-[4-(N-(3-trimethylsilylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]pyridin-3-amine?
The InChIKey is ZTWGDOFEJZYZDK-WCWDXBQESA-N. The full InChI is InChI=1S/C55H53N3Si2/c1-59(2,3)53-21-13-19-50(39-53)57(47-15-9-7-10-16-47)49-35-33-45(34-36-49)44-29-25-42(26-30-44)23-24-43-27-31-46(32-28-43)55-38-37-52(41-56-55)58(48-17-11-8-12-18-48)51-20-14-22-54(40-51)60(4,5)6/h7-41H,1-6H3/b24-23+.
What are the key properties of N-phenyl-N-(3-trimethylsilylphenyl)-6-[4-[(E)-2-[4-[4-(N-(3-trimethylsilylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]pyridin-3-amine?
N-phenyl-N-(3-trimethylsilylphenyl)-6-[4-[(E)-2-[4-[4-(N-(3-trimethylsilylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]pyridin-3-amine has a molecular weight of 812.22 g/mol, XLogP of 14.62, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(3-trimethylsilylphenyl)-6-[4-[(E)-2-[4-[4-(N-(3-trimethylsilylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]pyridin-3-amine is sourced from PubChem (CID 58511481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).