2-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline

C56H37NS — CID 167324943

IUPAC2-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc3ccccc3c2)c(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3-c3cccc4c3sc3ccccc34)cc2)c1
InChIInChI=1S/C56H37NS/c1-2-15-42-37-43(28-27-38(42)13-1)49-19-6-5-18-47(49)40-29-33-44(34-30-40)57(45-35-31-41(32-36-45)48-22-11-16-39-14-3-4-17-46(39)48)54-25-9-7-20-50(54)52-23-12-24-53-51-21-8-10-26-55(51)58-56(52)53/h1-37H
InChIKeyOIIRGXXJBNURSH-UHFFFAOYSA-N
MW755.99 g/mol
LogP16.50
Rot. Bonds7

About 2-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline

2-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline (PubChem CID 167324943) has the molecular formula C56H37NS and a molecular weight of 755.99 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
PubChem CID167324943
Molecular FormulaC56H37NS
Molecular Weight755.99 g/mol
Exact Mass755.26
IUPAC Name2-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc3ccccc3c2)c(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3-c3cccc4c3sc3ccccc34)cc2)c1
InChIInChI=1S/C56H37NS/c1-2-15-42-37-43(28-27-38(42)13-1)49-19-6-5-18-47(49)40-29-33-44(34-30-40)57(45-35-31-41(32-36-45)48-22-11-16-39-14-3-4-17-46(39)48)54-25-9-7-20-50(54)52-23-12-24-53-51-21-8-10-26-55(51)58-56(52)53/h1-37H
InChIKeyOIIRGXXJBNURSH-UHFFFAOYSA-N
XLogP16.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.99
LogP ≤ 516.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-dibenzothiophen-4-ylphenyl)-2-(2-naphthalen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 167326153
N-(2-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167325795
2-dibenzothiophen-4-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 167325271
N-[2-[2-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 167086408
N-(4-naphthalen-2-ylphenyl)-2-[2-(4-naphthalen-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]anilino)phenyl]-N-[4-(6-phenyldibenzothiophen-3-yl)phenyl]aniline
CID 167087066
N-(2-dibenzothiophen-4-ylphenyl)-5-naphthalen-1-yl-2-phenyl-N-(4-phenylphenyl)aniline
CID 167235510
2-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 167326082
N-(4-naphthalen-1-ylphenyl)-N-[4-(7-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 154605620
N-(2-dibenzothiophen-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine
CID 172501645
2-dibenzothiophen-4-yl-N-(3-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767231
2-dibenzothiophen-4-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168766864
N-(2-dibenzothiophen-4-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-1-amine
CID 167326312

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline?
The IUPAC name of 2-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline (CID 167324943) is 2-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline.
What is the SMILES notation for 2-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline?
The canonical SMILES for 2-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline is c1ccc(-c2ccc3ccccc3c2)c(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3-c3cccc4c3sc3ccccc34)cc2)c1.
What is the InChIKey of 2-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline?
The InChIKey is OIIRGXXJBNURSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NS/c1-2-15-42-37-43(28-27-38(42)13-1)49-19-6-5-18-47(49)40-29-33-44(34-30-40)57(45-35-31-41(32-36-45)48-22-11-16-39-14-3-4-17-46(39)48)54-25-9-7-20-50(54)52-23-12-24-53-51-21-8-10-26-55(51)58-56(52)53/h1-37H.
What are the key properties of 2-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline?
2-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline has a molecular weight of 755.99 g/mol, XLogP of 16.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline is sourced from PubChem (CID 167324943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).