N-(2-dibenzothiophen-2-ylphenyl)-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-2-naphthalen-2-ylaniline

C58H37NS2 — CID 168767040

IUPACN-(2-dibenzothiophen-2-ylphenyl)-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-2-naphthalen-2-ylaniline
SMILESc1cc(-c2cccc(N(c3ccccc3-c3ccc4ccccc4c3)c3ccccc3-c3ccc4sc5ccccc5c4c3)c2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C58H37NS2/c1-2-15-39-34-43(31-30-38(39)14-1)46-20-3-7-26-53(46)59(54-27-8-4-21-47(54)44-32-33-57-52(37-44)50-23-6-9-28-55(50)60-57)45-19-12-17-41(36-45)40-16-11-18-42(35-40)48-24-13-25-51-49-22-5-10-29-56(49)61-58(48)51/h1-37H
InChIKeySRVAYNZFQQPIBT-UHFFFAOYSA-N
MW812.08 g/mol
LogP17.71
Rot. Bonds7

About N-(2-dibenzothiophen-2-ylphenyl)-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-2-naphthalen-2-ylaniline

N-(2-dibenzothiophen-2-ylphenyl)-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-2-naphthalen-2-ylaniline (PubChem CID 168767040) has the molecular formula C58H37NS2 and a molecular weight of 812.08 g/mol. Its IUPAC name is N-(2-dibenzothiophen-2-ylphenyl)-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-2-naphthalen-2-ylaniline.

Molecular Properties

Compound NameN-(2-dibenzothiophen-2-ylphenyl)-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-2-naphthalen-2-ylaniline
PubChem CID168767040
Molecular FormulaC58H37NS2
Molecular Weight812.08 g/mol
Exact Mass811.24
IUPAC NameN-(2-dibenzothiophen-2-ylphenyl)-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-2-naphthalen-2-ylaniline
SMILESc1cc(-c2cccc(N(c3ccccc3-c3ccc4ccccc4c3)c3ccccc3-c3ccc4sc5ccccc5c4c3)c2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C58H37NS2/c1-2-15-39-34-43(31-30-38(39)14-1)46-20-3-7-26-53(46)59(54-27-8-4-21-47(54)44-32-33-57-52(37-44)50-23-6-9-28-55(50)60-57)45-19-12-17-41(36-45)40-16-11-18-42(35-40)48-24-13-25-51-49-22-5-10-29-56(49)61-58(48)51/h1-37H
InChIKeySRVAYNZFQQPIBT-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

2-dibenzothiophen-3-yl-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)aniline
CID 168766751
2-dibenzothiophen-2-yl-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
CID 168767309
N-(3-dibenzothiophen-3-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-2-ylaniline
CID 168766635
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
CID 168767596
N-(3-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-3-amine
CID 168766924
2-dibenzothiophen-2-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 167325263
N-(3-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167396570
N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 172500806
N-[2-[3-[N-(3-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-4-amine
CID 167087052
N,N-bis(3-dibenzothiophen-4-ylphenyl)-3-phenylaniline;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine;3-dibenzothiophen-4-yl-N-phenyl-N-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;7-dibenzothiophen-4-yl-N-(3-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 161495248
N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 168767557
N-(3-dibenzothiophen-4-ylphenyl)-5-naphthalen-2-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 167234902

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzothiophen-2-ylphenyl)-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-2-naphthalen-2-ylaniline?
The IUPAC name of N-(2-dibenzothiophen-2-ylphenyl)-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-2-naphthalen-2-ylaniline (CID 168767040) is N-(2-dibenzothiophen-2-ylphenyl)-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-2-naphthalen-2-ylaniline.
What is the SMILES notation for N-(2-dibenzothiophen-2-ylphenyl)-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-2-naphthalen-2-ylaniline?
The canonical SMILES for N-(2-dibenzothiophen-2-ylphenyl)-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-2-naphthalen-2-ylaniline is c1cc(-c2cccc(N(c3ccccc3-c3ccc4ccccc4c3)c3ccccc3-c3ccc4sc5ccccc5c4c3)c2)cc(-c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of N-(2-dibenzothiophen-2-ylphenyl)-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-2-naphthalen-2-ylaniline?
The InChIKey is SRVAYNZFQQPIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NS2/c1-2-15-39-34-43(31-30-38(39)14-1)46-20-3-7-26-53(46)59(54-27-8-4-21-47(54)44-32-33-57-52(37-44)50-23-6-9-28-55(50)60-57)45-19-12-17-41(36-45)40-16-11-18-42(35-40)48-24-13-25-51-49-22-5-10-29-56(49)61-58(48)51/h1-37H.
What are the key properties of N-(2-dibenzothiophen-2-ylphenyl)-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-2-naphthalen-2-ylaniline?
N-(2-dibenzothiophen-2-ylphenyl)-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-2-naphthalen-2-ylaniline 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-2-ylphenyl)-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-2-naphthalen-2-ylaniline is sourced from PubChem (CID 168767040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).