2-dibenzothiophen-2-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-phenylaniline

C46H31NS — CID 167324864

IUPAC2-dibenzothiophen-2-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3cccc(-c4cccc5ccccc45)c3)cc2)c2ccccc2-c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C46H31NS/c1-2-16-37(17-3-1)47(44-22-8-6-19-41(44)36-26-29-46-43(31-36)42-20-7-9-23-45(42)48-46)38-27-24-32(25-28-38)34-14-10-15-35(30-34)40-21-11-13-33-12-4-5-18-39(33)40/h1-31H
InChIKeyGMYILZYEQMUVLF-UHFFFAOYSA-N
MW629.83 g/mol
LogP13.68
Rot. Bonds6

About 2-dibenzothiophen-2-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-phenylaniline

2-dibenzothiophen-2-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-phenylaniline (PubChem CID 167324864) has the molecular formula C46H31NS and a molecular weight of 629.83 g/mol. Its IUPAC name is 2-dibenzothiophen-2-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-phenylaniline.

Molecular Properties

Compound Name2-dibenzothiophen-2-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-phenylaniline
PubChem CID167324864
Molecular FormulaC46H31NS
Molecular Weight629.83 g/mol
Exact Mass629.22
IUPAC Name2-dibenzothiophen-2-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3cccc(-c4cccc5ccccc45)c3)cc2)c2ccccc2-c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C46H31NS/c1-2-16-37(17-3-1)47(44-22-8-6-19-41(44)36-26-29-46-43(31-36)42-20-7-9-23-45(42)48-46)38-27-24-32(25-28-38)34-14-10-15-35(30-34)40-21-11-13-33-12-4-5-18-39(33)40/h1-31H
InChIKeyGMYILZYEQMUVLF-UHFFFAOYSA-N
XLogP13.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.83
LogP ≤ 513.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-dibenzothiophen-2-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167324684
N-(2-dibenzothiophen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 167324520
N,4-diphenyl-N-[4-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]phenyl]aniline;N-[4-[4-[3-(8-naphthalen-1-yldibenzothiophen-2-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-(8-naphthalen-1-yldibenzothiophen-2-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[3-(8-naphthalen-1-yldibenzothiophen-2-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]phenyl]naphthalen-1-amine;4-phenyl-N-[4-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 160840517
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167326162
N-(4-dibenzothiophen-2-ylphenyl)-5-naphthalen-1-yl-2-phenyl-N-(4-phenylphenyl)aniline
CID 167236356
N-(4-dibenzothiophen-2-ylphenyl)-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline
CID 168846083
N-(4-dibenzothiophen-2-ylphenyl)-N-phenylnaphthalen-1-amine
CID 118405930
2-dibenzothiophen-3-yl-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 167325670
2-dibenzothiophen-3-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167326227
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 147348264
2-dibenzothiophen-2-yl-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
CID 168767309
2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167326325

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-2-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-phenylaniline?
The IUPAC name of 2-dibenzothiophen-2-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-phenylaniline (CID 167324864) is 2-dibenzothiophen-2-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-phenylaniline.
What is the SMILES notation for 2-dibenzothiophen-2-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-phenylaniline?
The canonical SMILES for 2-dibenzothiophen-2-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-phenylaniline is c1ccc(N(c2ccc(-c3cccc(-c4cccc5ccccc45)c3)cc2)c2ccccc2-c2ccc3sc4ccccc4c3c2)cc1.
What is the InChIKey of 2-dibenzothiophen-2-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-phenylaniline?
The InChIKey is GMYILZYEQMUVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31NS/c1-2-16-37(17-3-1)47(44-22-8-6-19-41(44)36-26-29-46-43(31-36)42-20-7-9-23-45(42)48-46)38-27-24-32(25-28-38)34-14-10-15-35(30-34)40-21-11-13-33-12-4-5-18-39(33)40/h1-31H.
What are the key properties of 2-dibenzothiophen-2-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-phenylaniline?
2-dibenzothiophen-2-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-phenylaniline has a molecular weight of 629.83 g/mol, XLogP of 13.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-2-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-phenylaniline is sourced from PubChem (CID 167324864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).