2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline

C52H33NS2 — CID 168767284

IUPAC2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline
SMILESc1cc(-c2ccc3c(c2)sc2ccccc23)cc(N(c2cccc(-c3cccc4ccccc34)c2)c2ccccc2-c2cccc3sc4ccccc4c23)c1
InChIInChI=1S/C52H33NS2/c1-2-19-40-34(13-1)14-11-23-41(40)37-16-10-18-39(32-37)53(38-17-9-15-35(31-38)36-29-30-44-43-21-4-7-26-48(43)55-51(44)33-36)47-25-6-3-20-42(47)45-24-12-28-50-52(45)46-22-5-8-27-49(46)54-50/h1-33H
InChIKeyMQJGOAUNDBYCNN-UHFFFAOYSA-N
MW735.98 g/mol
LogP16.05
Rot. Bonds6

About 2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline

2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline (PubChem CID 168767284) has the molecular formula C52H33NS2 and a molecular weight of 735.98 g/mol. Its IUPAC name is 2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline.

Molecular Properties

Compound Name2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline
PubChem CID168767284
Molecular FormulaC52H33NS2
Molecular Weight735.98 g/mol
Exact Mass735.21
IUPAC Name2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline
SMILESc1cc(-c2ccc3c(c2)sc2ccccc23)cc(N(c2cccc(-c3cccc4ccccc34)c2)c2ccccc2-c2cccc3sc4ccccc4c23)c1
InChIInChI=1S/C52H33NS2/c1-2-19-40-34(13-1)14-11-23-41(40)37-16-10-18-39(32-37)53(38-17-9-15-35(31-38)36-29-30-44-43-21-4-7-26-48(43)55-51(44)33-36)47-25-6-3-20-42(47)45-24-12-28-50-52(45)46-22-5-8-27-49(46)54-50/h1-33H
InChIKeyMQJGOAUNDBYCNN-UHFFFAOYSA-N
XLogP16.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.98
LogP ≤ 516.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-dibenzothiophen-3-yl-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 167325670
N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 168766637
2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167326325
N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 168766669
2-dibenzothiophen-3-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167326227
N-(3-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine
CID 172502469
N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
CID 167324838
2-dibenzothiophen-1-yl-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 167326060
N-(4-dibenzothiophen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502253
N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 168767557
2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 163594964
2-dibenzothiophen-4-yl-N-(3-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767231

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline?
The IUPAC name of 2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline (CID 168767284) is 2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline.
What is the SMILES notation for 2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline?
The canonical SMILES for 2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline is c1cc(-c2ccc3c(c2)sc2ccccc23)cc(N(c2cccc(-c3cccc4ccccc34)c2)c2ccccc2-c2cccc3sc4ccccc4c23)c1.
What is the InChIKey of 2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline?
The InChIKey is MQJGOAUNDBYCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NS2/c1-2-19-40-34(13-1)14-11-23-41(40)37-16-10-18-39(32-37)53(38-17-9-15-35(31-38)36-29-30-44-43-21-4-7-26-48(43)55-51(44)33-36)47-25-6-3-20-42(47)45-24-12-28-50-52(45)46-22-5-8-27-49(46)54-50/h1-33H.
What are the key properties of 2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline?
2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline has a molecular weight of 735.98 g/mol, XLogP of 16.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 168767284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).