1-[3-(2-anilinonaphthalen-1-yl)-2-trimethylsilylphenyl]-N-phenylnaphthalen-2-amine

C41H36N2Si — CID 155614121

IUPAC1-[3-(2-anilinonaphthalen-1-yl)-2-trimethylsilylphenyl]-N-phenylnaphthalen-2-amine
SMILESC[Si](C)(C)c1c(-c2c(Nc3ccccc3)ccc3ccccc23)cccc1-c1c(Nc2ccccc2)ccc2ccccc12
InChIInChI=1S/C41H36N2Si/c1-44(2,3)41-35(39-33-21-12-10-15-29(33)25-27-37(39)42-31-17-6-4-7-18-31)23-14-24-36(41)40-34-22-13-11-16-30(34)26-28-38(40)43-32-19-8-5-9-20-32/h4-28,42-43H,1-3H3
InChIKeyZWIVQLWJWJNYGT-UHFFFAOYSA-N
MW584.84 g/mol
LogP11.36
Rot. Bonds7

About 1-[3-(2-anilinonaphthalen-1-yl)-2-trimethylsilylphenyl]-N-phenylnaphthalen-2-amine

1-[3-(2-anilinonaphthalen-1-yl)-2-trimethylsilylphenyl]-N-phenylnaphthalen-2-amine (PubChem CID 155614121) has the molecular formula C41H36N2Si and a molecular weight of 584.84 g/mol. Its IUPAC name is 1-[3-(2-anilinonaphthalen-1-yl)-2-trimethylsilylphenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound Name1-[3-(2-anilinonaphthalen-1-yl)-2-trimethylsilylphenyl]-N-phenylnaphthalen-2-amine
PubChem CID155614121
Molecular FormulaC41H36N2Si
Molecular Weight584.84 g/mol
Exact Mass584.26
IUPAC Name1-[3-(2-anilinonaphthalen-1-yl)-2-trimethylsilylphenyl]-N-phenylnaphthalen-2-amine
SMILESC[Si](C)(C)c1c(-c2c(Nc3ccccc3)ccc3ccccc23)cccc1-c1c(Nc2ccccc2)ccc2ccccc12
InChIInChI=1S/C41H36N2Si/c1-44(2,3)41-35(39-33-21-12-10-15-29(33)25-27-37(39)42-31-17-6-4-7-18-31)23-14-24-36(41)40-34-22-13-11-16-30(34)26-28-38(40)43-32-19-8-5-9-20-32/h4-28,42-43H,1-3H3
InChIKeyZWIVQLWJWJNYGT-UHFFFAOYSA-N
XLogP11.36
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.84
LogP ≤ 511.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-diphenylnaphthalene-1,4-diamine
CID 21408089
benzylbenzene;ethane;bis(N-phenylnaphthalen-1-amine)
CID 157375605
N-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine
CID 168801776
4-[(1-phenylnaphthalen-2-yl)amino]phenol
CID 67541341
6-(4-fluoranthen-2-ylphenyl)-1-(2-methylnaphthalen-1-yl)-N-phenylnaphthalen-2-amine
CID 166955115
phenol;N-phenylnaphthalen-1-amine
CID 159146578
N-phenyl-1-phenylsulfanylnaphthalen-2-amine
CID 132556912
N-tert-butyl-1-naphthalen-1-ylnaphthalen-2-amine
CID 146334999
4-(4-anilinophenyl)-2-naphthalen-1-yl-N-phenylaniline
CID 66605145
N,10-diphenylanthracen-1-amine
CID 135183397
1-[2-(4-ethenylanilino)naphthalen-1-yl]-N-(4-ethenylphenyl)naphthalen-2-amine
CID 101144380
N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59029878

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-anilinonaphthalen-1-yl)-2-trimethylsilylphenyl]-N-phenylnaphthalen-2-amine?
The IUPAC name of 1-[3-(2-anilinonaphthalen-1-yl)-2-trimethylsilylphenyl]-N-phenylnaphthalen-2-amine (CID 155614121) is 1-[3-(2-anilinonaphthalen-1-yl)-2-trimethylsilylphenyl]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for 1-[3-(2-anilinonaphthalen-1-yl)-2-trimethylsilylphenyl]-N-phenylnaphthalen-2-amine?
The canonical SMILES for 1-[3-(2-anilinonaphthalen-1-yl)-2-trimethylsilylphenyl]-N-phenylnaphthalen-2-amine is C[Si](C)(C)c1c(-c2c(Nc3ccccc3)ccc3ccccc23)cccc1-c1c(Nc2ccccc2)ccc2ccccc12.
What is the InChIKey of 1-[3-(2-anilinonaphthalen-1-yl)-2-trimethylsilylphenyl]-N-phenylnaphthalen-2-amine?
The InChIKey is ZWIVQLWJWJNYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H36N2Si/c1-44(2,3)41-35(39-33-21-12-10-15-29(33)25-27-37(39)42-31-17-6-4-7-18-31)23-14-24-36(41)40-34-22-13-11-16-30(34)26-28-38(40)43-32-19-8-5-9-20-32/h4-28,42-43H,1-3H3.
What are the key properties of 1-[3-(2-anilinonaphthalen-1-yl)-2-trimethylsilylphenyl]-N-phenylnaphthalen-2-amine?
1-[3-(2-anilinonaphthalen-1-yl)-2-trimethylsilylphenyl]-N-phenylnaphthalen-2-amine has a molecular weight of 584.84 g/mol, XLogP of 11.36, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-anilinonaphthalen-1-yl)-2-trimethylsilylphenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 155614121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).