N-[2-(4-tert-butylphenyl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-2-(8-phenyl-2,3-dihydronaphthalen-1-yl)aniline

C56H45NS — CID 170294549

IUPACN-[2-(4-tert-butylphenyl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-2-(8-phenyl-2,3-dihydronaphthalen-1-yl)aniline
SMILESCC(C)(C)c1ccc(-c2ccccc2N(c2ccccc2C2=c3c(-c4ccccc4)cccc3=CCC2)c2ccccc2-c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C56H45NS/c1-56(2,3)41-36-34-39(35-37-41)42-22-7-11-30-50(42)57(52-32-13-9-24-45(52)48-28-17-29-49-46-25-10-14-33-53(46)58-55(48)49)51-31-12-8-23-44(51)47-27-16-21-40-20-15-26-43(54(40)47)38-18-5-4-6-19-38/h4-15,17-26,28-37H,16,27H2,1-3H3
InChIKeyKQFYSUFHAKQLND-UHFFFAOYSA-N
MW764.05 g/mol
LogP14.60
Rot. Bonds7

About N-[2-(4-tert-butylphenyl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-2-(8-phenyl-2,3-dihydronaphthalen-1-yl)aniline

N-[2-(4-tert-butylphenyl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-2-(8-phenyl-2,3-dihydronaphthalen-1-yl)aniline (PubChem CID 170294549) has the molecular formula C56H45NS and a molecular weight of 764.05 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-2-(8-phenyl-2,3-dihydronaphthalen-1-yl)aniline.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-2-(8-phenyl-2,3-dihydronaphthalen-1-yl)aniline
PubChem CID170294549
Molecular FormulaC56H45NS
Molecular Weight764.05 g/mol
Exact Mass763.33
IUPAC NameN-[2-(4-tert-butylphenyl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-2-(8-phenyl-2,3-dihydronaphthalen-1-yl)aniline
SMILESCC(C)(C)c1ccc(-c2ccccc2N(c2ccccc2C2=c3c(-c4ccccc4)cccc3=CCC2)c2ccccc2-c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C56H45NS/c1-56(2,3)41-36-34-39(35-37-41)42-22-7-11-30-50(42)57(52-32-13-9-24-45(52)48-28-17-29-49-46-25-10-14-33-53(46)58-55(48)49)51-31-12-8-23-44(51)47-27-16-21-40-20-15-26-43(54(40)47)38-18-5-4-6-19-38/h4-15,17-26,28-37H,16,27H2,1-3H3
InChIKeyKQFYSUFHAKQLND-UHFFFAOYSA-N
XLogP14.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.05
LogP ≤ 514.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-dibenzothiophen-4-ylphenyl)-N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170294383
5-tert-butyl-N-(2-dibenzothiophen-4-ylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170294602
N-(4-tert-butylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
CID 170294488
N-(2-dibenzothiophen-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-1-amine
CID 167325325
2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-(3-dibenzothiophen-4-ylphenyl)-N-(2-phenylphenyl)aniline
CID 170296120
N-(2-dibenzofuran-3-ylphenyl)-2-(8-phenyl-2,3-dihydronaphthalen-1-yl)-N-[2-(4-phenylphenyl)phenyl]aniline
CID 170294791
N-(2-dibenzothiophen-4-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]naphthalen-1-amine
CID 170302037
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170301701
2-dibenzothiophen-4-yl-N-phenyl-N-(4-phenylphenyl)aniline
CID 129274012
N-(2-dibenzofuran-3-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)-2,3-dihydronaphthalen-1-yl]-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 170299916
4-(2-tert-butyl-3-phenylphenyl)dibenzothiophene
CID 146578977
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172500791

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-2-(8-phenyl-2,3-dihydronaphthalen-1-yl)aniline?
The IUPAC name of N-[2-(4-tert-butylphenyl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-2-(8-phenyl-2,3-dihydronaphthalen-1-yl)aniline (CID 170294549) is N-[2-(4-tert-butylphenyl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-2-(8-phenyl-2,3-dihydronaphthalen-1-yl)aniline.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-2-(8-phenyl-2,3-dihydronaphthalen-1-yl)aniline?
The canonical SMILES for N-[2-(4-tert-butylphenyl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-2-(8-phenyl-2,3-dihydronaphthalen-1-yl)aniline is CC(C)(C)c1ccc(-c2ccccc2N(c2ccccc2C2=c3c(-c4ccccc4)cccc3=CCC2)c2ccccc2-c2cccc3c2sc2ccccc23)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-2-(8-phenyl-2,3-dihydronaphthalen-1-yl)aniline?
The InChIKey is KQFYSUFHAKQLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H45NS/c1-56(2,3)41-36-34-39(35-37-41)42-22-7-11-30-50(42)57(52-32-13-9-24-45(52)48-28-17-29-49-46-25-10-14-33-53(46)58-55(48)49)51-31-12-8-23-44(51)47-27-16-21-40-20-15-26-43(54(40)47)38-18-5-4-6-19-38/h4-15,17-26,28-37H,16,27H2,1-3H3.
What are the key properties of N-[2-(4-tert-butylphenyl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-2-(8-phenyl-2,3-dihydronaphthalen-1-yl)aniline?
N-[2-(4-tert-butylphenyl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-2-(8-phenyl-2,3-dihydronaphthalen-1-yl)aniline has a molecular weight of 764.05 g/mol, XLogP of 14.60, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-2-(8-phenyl-2,3-dihydronaphthalen-1-yl)aniline is sourced from PubChem (CID 170294549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).