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

C52H33NS2 — CID 167325385

IUPACN-(2-dibenzothiophen-4-ylphenyl)-N-[3-(2-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine
SMILESc1cc(-c2ccccc2-c2cccc3ccccc23)cc(N(c2ccccc2-c2cccc3c2sc2ccccc23)c2cccc3sc4ccccc4c23)c1
InChIInChI=1S/C52H33NS2/c1-2-19-37-34(15-1)16-12-25-40(37)39-21-4-3-20-38(39)35-17-11-18-36(33-35)53(47-29-14-32-50-51(47)45-24-7-10-31-49(45)54-50)46-28-8-5-22-41(46)43-26-13-27-44-42-23-6-9-30-48(42)55-52(43)44/h1-33H
InChIKeyOVHYSFSZDKTNJF-UHFFFAOYSA-N
MW735.98 g/mol
LogP16.05
Rot. Bonds6

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

N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(2-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine (PubChem CID 167325385) has the molecular formula C52H33NS2 and a molecular weight of 735.98 g/mol. Its IUPAC name is N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(2-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-(2-dibenzothiophen-4-ylphenyl)-N-[3-(2-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine
PubChem CID167325385
Molecular FormulaC52H33NS2
Molecular Weight735.98 g/mol
Exact Mass735.21
IUPAC NameN-(2-dibenzothiophen-4-ylphenyl)-N-[3-(2-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine
SMILESc1cc(-c2ccccc2-c2cccc3ccccc23)cc(N(c2ccccc2-c2cccc3c2sc2ccccc23)c2cccc3sc4ccccc4c23)c1
InChIInChI=1S/C52H33NS2/c1-2-19-37-34(15-1)16-12-25-40(37)39-21-4-3-20-38(39)35-17-11-18-36(33-35)53(47-29-14-32-50-51(47)45-24-7-10-31-49(45)54-50)46-28-8-5-22-41(46)43-26-13-27-44-42-23-6-9-30-48(42)55-52(43)44/h1-33H
InChIKeyOVHYSFSZDKTNJF-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

N-(2-dibenzothiophen-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
CID 170300378
N-(2-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-1-amine
CID 167325431
N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline
CID 168767151
N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 168766669
N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 167324190
N-(4-dibenzothiophen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502253
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)-2-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167325795
N-[2-(2-phenylphenyl)phenyl]-N-[3-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 164744415
N-(2-dibenzothiophen-4-ylphenyl)-2-(2-naphthalen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 167326153

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(2-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine?
The IUPAC name of N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(2-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine (CID 167325385) is N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(2-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine.
What is the SMILES notation for N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(2-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine?
The canonical SMILES for N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(2-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine is c1cc(-c2ccccc2-c2cccc3ccccc23)cc(N(c2ccccc2-c2cccc3c2sc2ccccc23)c2cccc3sc4ccccc4c23)c1.
What is the InChIKey of N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(2-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine?
The InChIKey is OVHYSFSZDKTNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NS2/c1-2-19-37-34(15-1)16-12-25-40(37)39-21-4-3-20-38(39)35-17-11-18-36(33-35)53(47-29-14-32-50-51(47)45-24-7-10-31-49(45)54-50)46-28-8-5-22-41(46)43-26-13-27-44-42-23-6-9-30-48(42)55-52(43)44/h1-33H.
What are the key properties of N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(2-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine?
N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(2-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine 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 N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(2-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine is sourced from PubChem (CID 167325385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).