N-(2-dibenzothiophen-4-ylphenyl)-N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline

C60H51NS — CID 170294383

IUPACN-(2-dibenzothiophen-4-ylphenyl)-N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
SMILESCC(C)(C)c1cc(-c2ccccc2N(c2ccccc2-c2cccc3c2sc2ccccc23)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)cc(C(C)(C)C)c1
InChIInChI=1S/C60H51NS/c1-59(2,3)43-37-42(38-44(39-43)60(4,5)6)45-25-10-14-33-53(45)61(55-35-16-12-27-48(55)51-31-20-32-52-49-28-13-17-36-56(49)62-58(51)52)54-34-15-11-26-47(54)50-30-19-24-41-23-18-29-46(57(41)50)40-21-8-7-9-22-40/h7-39H,1-6H3
InChIKeyNRUNGYBNZSCZLM-UHFFFAOYSA-N
MW818.14 g/mol
LogP17.94
Rot. Bonds7

About N-(2-dibenzothiophen-4-ylphenyl)-N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline

N-(2-dibenzothiophen-4-ylphenyl)-N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline (PubChem CID 170294383) has the molecular formula C60H51NS and a molecular weight of 818.14 g/mol. Its IUPAC name is N-(2-dibenzothiophen-4-ylphenyl)-N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline.

Molecular Properties

Compound NameN-(2-dibenzothiophen-4-ylphenyl)-N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
PubChem CID170294383
Molecular FormulaC60H51NS
Molecular Weight818.14 g/mol
Exact Mass817.37
IUPAC NameN-(2-dibenzothiophen-4-ylphenyl)-N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
SMILESCC(C)(C)c1cc(-c2ccccc2N(c2ccccc2-c2cccc3c2sc2ccccc23)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)cc(C(C)(C)C)c1
InChIInChI=1S/C60H51NS/c1-59(2,3)43-37-42(38-44(39-43)60(4,5)6)45-25-10-14-33-53(45)61(55-35-16-12-27-48(55)51-31-20-32-52-49-28-13-17-36-56(49)62-58(51)52)54-34-15-11-26-47(54)50-30-19-24-41-23-18-29-46(57(41)50)40-21-8-7-9-22-40/h7-39H,1-6H3
InChIKeyNRUNGYBNZSCZLM-UHFFFAOYSA-N
XLogP17.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.14
LogP ≤ 517.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170301701
N-(2-dibenzothiophen-4-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]naphthalen-1-amine
CID 170302037
5-tert-butyl-N-(2-dibenzothiophen-4-ylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170294602
N-(2-dibenzothiophen-4-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-(3-naphthalen-1-ylphenyl)aniline
CID 170302040
N-(2-dibenzothiophen-4-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9-phenylcarbazol-1-amine
CID 170299894
N-(4-tert-butylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
CID 170294488
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-naphthalen-1-yldibenzothiophen-1-amine
CID 170301867
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 170291271
N-(3-dibenzothiophen-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2-(4-phenylphenyl)aniline
CID 170296596
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-1-amine
CID 170296566
N-(2-dibenzothiophen-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-1-amine
CID 167325325
N-(4-dibenzothiophen-1-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 170301774

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzothiophen-4-ylphenyl)-N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
The IUPAC name of N-(2-dibenzothiophen-4-ylphenyl)-N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline (CID 170294383) is N-(2-dibenzothiophen-4-ylphenyl)-N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline.
What is the SMILES notation for N-(2-dibenzothiophen-4-ylphenyl)-N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
The canonical SMILES for N-(2-dibenzothiophen-4-ylphenyl)-N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline is CC(C)(C)c1cc(-c2ccccc2N(c2ccccc2-c2cccc3c2sc2ccccc23)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)cc(C(C)(C)C)c1.
What is the InChIKey of N-(2-dibenzothiophen-4-ylphenyl)-N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
The InChIKey is NRUNGYBNZSCZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H51NS/c1-59(2,3)43-37-42(38-44(39-43)60(4,5)6)45-25-10-14-33-53(45)61(55-35-16-12-27-48(55)51-31-20-32-52-49-28-13-17-36-56(49)62-58(51)52)54-34-15-11-26-47(54)50-30-19-24-41-23-18-29-46(57(41)50)40-21-8-7-9-22-40/h7-39H,1-6H3.
What are the key properties of N-(2-dibenzothiophen-4-ylphenyl)-N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
N-(2-dibenzothiophen-4-ylphenyl)-N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline has a molecular weight of 818.14 g/mol, XLogP of 17.94, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzothiophen-4-ylphenyl)-N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline is sourced from PubChem (CID 170294383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).