N-(2-dibenzothiophen-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline

C58H37NS2 — CID 170300378

IUPACN-(2-dibenzothiophen-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4cccc(-c5cccc6sc7ccccc7c56)c4)c4ccccc4-c4cccc5c4sc4ccccc45)c23)cc1
InChIInChI=1S/C58H37NS2/c1-2-17-38(18-3-1)42-27-13-19-39-20-14-29-47(56(39)42)44-23-4-8-32-51(44)59(41-22-12-21-40(37-41)43-28-16-36-55-57(43)50-26-7-11-35-54(50)60-55)52-33-9-5-24-45(52)48-30-15-31-49-46-25-6-10-34-53(46)61-58(48)49/h1-37H
InChIKeyLGKREBNPFAYXKU-UHFFFAOYSA-N
MW812.08 g/mol
LogP17.71
Rot. Bonds7

About N-(2-dibenzothiophen-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline

N-(2-dibenzothiophen-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline (PubChem CID 170300378) has the molecular formula C58H37NS2 and a molecular weight of 812.08 g/mol. Its IUPAC name is N-(2-dibenzothiophen-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline.

Molecular Properties

Compound NameN-(2-dibenzothiophen-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
PubChem CID170300378
Molecular FormulaC58H37NS2
Molecular Weight812.08 g/mol
Exact Mass811.24
IUPAC NameN-(2-dibenzothiophen-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4cccc(-c5cccc6sc7ccccc7c56)c4)c4ccccc4-c4cccc5c4sc4ccccc45)c23)cc1
InChIInChI=1S/C58H37NS2/c1-2-17-38(18-3-1)42-27-13-19-39-20-14-29-47(56(39)42)44-23-4-8-32-51(44)59(41-22-12-21-40(37-41)43-28-16-36-55-57(43)50-26-7-11-35-54(50)60-55)52-33-9-5-24-45(52)48-30-15-31-49-46-25-6-10-34-53(46)61-58(48)49/h1-37H
InChIKeyLGKREBNPFAYXKU-UHFFFAOYSA-N
XLogP17.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.08
LogP ≤ 517.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(2-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 167325385
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-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine
CID 172501645
N-(3-dibenzothiophen-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2-(4-phenylphenyl)aniline
CID 170296596
N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 168766669
N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170298563
N-[2-(2-phenylphenyl)phenyl]-N-[3-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 164744415
N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
CID 167324838
N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-(3-naphthalen-1-ylphenyl)aniline
CID 168846205
N-(4-dibenzothiophen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502253
N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline
CID 168767151
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170298566

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzothiophen-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline?
The IUPAC name of N-(2-dibenzothiophen-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline (CID 170300378) is N-(2-dibenzothiophen-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline.
What is the SMILES notation for N-(2-dibenzothiophen-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline?
The canonical SMILES for N-(2-dibenzothiophen-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline is c1ccc(-c2cccc3cccc(-c4ccccc4N(c4cccc(-c5cccc6sc7ccccc7c56)c4)c4ccccc4-c4cccc5c4sc4ccccc45)c23)cc1.
What is the InChIKey of N-(2-dibenzothiophen-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline?
The InChIKey is LGKREBNPFAYXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NS2/c1-2-17-38(18-3-1)42-27-13-19-39-20-14-29-47(56(39)42)44-23-4-8-32-51(44)59(41-22-12-21-40(37-41)43-28-16-36-55-57(43)50-26-7-11-35-54(50)60-55)52-33-9-5-24-45(52)48-30-15-31-49-46-25-6-10-34-53(46)61-58(48)49/h1-37H.
What are the key properties of N-(2-dibenzothiophen-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline?
N-(2-dibenzothiophen-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline has a molecular weight of 812.08 g/mol, XLogP of 17.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzothiophen-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline is sourced from PubChem (CID 170300378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).