N-naphthalen-1-yl-6-[(E)-2-[6-(N-naphthalen-1-yl-4-trimethylsilylanilino)naphthalen-2-yl]ethenyl]-N-(4-trimethylsilylphenyl)naphthalen-2-amine

C60H54N2Si2 — CID 140926321

IUPACN-naphthalen-1-yl-6-[(E)-2-[6-(N-naphthalen-1-yl-4-trimethylsilylanilino)naphthalen-2-yl]ethenyl]-N-(4-trimethylsilylphenyl)naphthalen-2-amine
SMILESC[Si](C)(C)c1ccc(N(c2ccc3cc(/C=C/c4ccc5cc(N(c6ccc([Si](C)(C)C)cc6)c6cccc7ccccc67)ccc5c4)ccc3c2)c2cccc3ccccc23)cc1
InChIInChI=1S/C60H54N2Si2/c1-63(2,3)55-35-31-51(32-36-55)61(59-19-11-15-45-13-7-9-17-57(45)59)53-29-27-47-39-43(23-25-49(47)41-53)21-22-44-24-26-50-42-54(30-28-48(50)40-44)62(52-33-37-56(38-34-52)64(4,5)6)60-20-12-16-46-14-8-10-18-58(46)60/h7-42H,1-6H3/b22-21+
InChIKeyUDEFXKJKHYXVAL-QURGRASLSA-N
MW859.28 g/mol
LogP16.50
Rot. Bonds10

About N-naphthalen-1-yl-6-[(E)-2-[6-(N-naphthalen-1-yl-4-trimethylsilylanilino)naphthalen-2-yl]ethenyl]-N-(4-trimethylsilylphenyl)naphthalen-2-amine

N-naphthalen-1-yl-6-[(E)-2-[6-(N-naphthalen-1-yl-4-trimethylsilylanilino)naphthalen-2-yl]ethenyl]-N-(4-trimethylsilylphenyl)naphthalen-2-amine (PubChem CID 140926321) has the molecular formula C60H54N2Si2 and a molecular weight of 859.28 g/mol. Its IUPAC name is N-naphthalen-1-yl-6-[(E)-2-[6-(N-naphthalen-1-yl-4-trimethylsilylanilino)naphthalen-2-yl]ethenyl]-N-(4-trimethylsilylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-6-[(E)-2-[6-(N-naphthalen-1-yl-4-trimethylsilylanilino)naphthalen-2-yl]ethenyl]-N-(4-trimethylsilylphenyl)naphthalen-2-amine
PubChem CID140926321
Molecular FormulaC60H54N2Si2
Molecular Weight859.28 g/mol
Exact Mass858.38
IUPAC NameN-naphthalen-1-yl-6-[(E)-2-[6-(N-naphthalen-1-yl-4-trimethylsilylanilino)naphthalen-2-yl]ethenyl]-N-(4-trimethylsilylphenyl)naphthalen-2-amine
SMILESC[Si](C)(C)c1ccc(N(c2ccc3cc(/C=C/c4ccc5cc(N(c6ccc([Si](C)(C)C)cc6)c6cccc7ccccc67)ccc5c4)ccc3c2)c2cccc3ccccc23)cc1
InChIInChI=1S/C60H54N2Si2/c1-63(2,3)55-35-31-51(32-36-55)61(59-19-11-15-45-13-7-9-17-57(45)59)53-29-27-47-39-43(23-25-49(47)41-53)21-22-44-24-26-50-42-54(30-28-48(50)40-44)62(52-33-37-56(38-34-52)64(4,5)6)60-20-12-16-46-14-8-10-18-58(46)60/h7-42H,1-6H3/b22-21+
InChIKeyUDEFXKJKHYXVAL-QURGRASLSA-N
XLogP16.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.28
LogP ≤ 516.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N,6-N-dinaphthalen-1-yl-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine
CID 58855159
N-naphthalen-1-yl-6-[(E)-2-[6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]ethenyl]-N-phenylnaphthalen-2-amine
CID 58870889
N-naphthalen-1-yl-6-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]-N-phenylnaphthalen-2-amine
CID 59270592
N-naphthalen-1-yl-N-[4-[4-[(E)-2-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-2-amine
CID 58511479
N-[4-[(E)-2-anthracen-2-ylethenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 20801917
N-[4-[(E)-2-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 89067707
6-[naphthalen-1-yl(naphthalen-2-yl)amino]naphthalene-2-carbaldehyde
CID 88907178
N-[4-[2-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 91122329
7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-[naphthalen-1-yl(naphthalen-2-yl)amino]fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-naphthalen-2-ylfluoren-2-amine
CID 59246200
2-N,2-N,6-N,6-N-tetranaphthalen-1-ylnaphthalene-2,6-diamine
CID 159424391
4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-1-ylanilino)phenyl]-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 58598982
N-methyl-N-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]naphthalen-1-amine
CID 58583928

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-6-[(E)-2-[6-(N-naphthalen-1-yl-4-trimethylsilylanilino)naphthalen-2-yl]ethenyl]-N-(4-trimethylsilylphenyl)naphthalen-2-amine?
The IUPAC name of N-naphthalen-1-yl-6-[(E)-2-[6-(N-naphthalen-1-yl-4-trimethylsilylanilino)naphthalen-2-yl]ethenyl]-N-(4-trimethylsilylphenyl)naphthalen-2-amine (CID 140926321) is N-naphthalen-1-yl-6-[(E)-2-[6-(N-naphthalen-1-yl-4-trimethylsilylanilino)naphthalen-2-yl]ethenyl]-N-(4-trimethylsilylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-naphthalen-1-yl-6-[(E)-2-[6-(N-naphthalen-1-yl-4-trimethylsilylanilino)naphthalen-2-yl]ethenyl]-N-(4-trimethylsilylphenyl)naphthalen-2-amine?
The canonical SMILES for N-naphthalen-1-yl-6-[(E)-2-[6-(N-naphthalen-1-yl-4-trimethylsilylanilino)naphthalen-2-yl]ethenyl]-N-(4-trimethylsilylphenyl)naphthalen-2-amine is C[Si](C)(C)c1ccc(N(c2ccc3cc(/C=C/c4ccc5cc(N(c6ccc([Si](C)(C)C)cc6)c6cccc7ccccc67)ccc5c4)ccc3c2)c2cccc3ccccc23)cc1.
What is the InChIKey of N-naphthalen-1-yl-6-[(E)-2-[6-(N-naphthalen-1-yl-4-trimethylsilylanilino)naphthalen-2-yl]ethenyl]-N-(4-trimethylsilylphenyl)naphthalen-2-amine?
The InChIKey is UDEFXKJKHYXVAL-QURGRASLSA-N. The full InChI is InChI=1S/C60H54N2Si2/c1-63(2,3)55-35-31-51(32-36-55)61(59-19-11-15-45-13-7-9-17-57(45)59)53-29-27-47-39-43(23-25-49(47)41-53)21-22-44-24-26-50-42-54(30-28-48(50)40-44)62(52-33-37-56(38-34-52)64(4,5)6)60-20-12-16-46-14-8-10-18-58(46)60/h7-42H,1-6H3/b22-21+.
What are the key properties of N-naphthalen-1-yl-6-[(E)-2-[6-(N-naphthalen-1-yl-4-trimethylsilylanilino)naphthalen-2-yl]ethenyl]-N-(4-trimethylsilylphenyl)naphthalen-2-amine?
N-naphthalen-1-yl-6-[(E)-2-[6-(N-naphthalen-1-yl-4-trimethylsilylanilino)naphthalen-2-yl]ethenyl]-N-(4-trimethylsilylphenyl)naphthalen-2-amine has a molecular weight of 859.28 g/mol, XLogP of 16.50, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-6-[(E)-2-[6-(N-naphthalen-1-yl-4-trimethylsilylanilino)naphthalen-2-yl]ethenyl]-N-(4-trimethylsilylphenyl)naphthalen-2-amine is sourced from PubChem (CID 140926321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).