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

C52H33NS2 — CID 167325681

IUPACN-(2-dibenzothiophen-1-ylphenyl)-N-[3-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine
SMILESc1cc(-c2cccc(N(c3ccccc3-c3cccc4sc5ccccc5c34)c3cccc4sc5ccccc5c34)c2)cc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C52H33NS2/c1-2-14-35-31-39(30-29-34(35)13-1)37-16-9-15-36(32-37)38-17-10-18-40(33-38)53(46-24-12-28-50-52(46)44-21-5-8-26-48(44)55-50)45-23-6-3-19-41(45)42-22-11-27-49-51(42)43-20-4-7-25-47(43)54-49/h1-33H
InChIKeyVGUVCKOSVFVDQY-UHFFFAOYSA-N
MW735.98 g/mol
LogP16.05
Rot. Bonds6

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

N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine (PubChem CID 167325681) has the molecular formula C52H33NS2 and a molecular weight of 735.98 g/mol. Its IUPAC name is N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-(2-dibenzothiophen-1-ylphenyl)-N-[3-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine
PubChem CID167325681
Molecular FormulaC52H33NS2
Molecular Weight735.98 g/mol
Exact Mass735.21
IUPAC NameN-(2-dibenzothiophen-1-ylphenyl)-N-[3-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine
SMILESc1cc(-c2cccc(N(c3ccccc3-c3cccc4sc5ccccc5c34)c3cccc4sc5ccccc5c34)c2)cc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C52H33NS2/c1-2-14-35-31-39(30-29-34(35)13-1)37-16-9-15-36(32-37)38-17-10-18-40(33-38)53(46-24-12-28-50-52(46)44-21-5-8-26-48(44)55-50)45-23-6-3-19-41(45)42-22-11-27-49-51(42)43-20-4-7-25-47(43)54-49/h1-33H
InChIKeyVGUVCKOSVFVDQY-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-dibenzothiophen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzothiophen-1-amine
CID 167324324
N-[2-[2-(N-dibenzothiophen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzothiol-11-amine
CID 167086931
2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 163818280
N-[2-[2-(N-dibenzothiophen-1-yl-3-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine
CID 167086900
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167324059
2-dibenzothiophen-1-yl-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 167326060
2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 163651994
N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 174256379
N-[3-[3-(N-dibenzothiophen-1-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-1-amine
CID 167086970
N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
CID 167324838
N-dibenzothiophen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzothiophen-4-amine
CID 167323759
N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167325717

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine?
The IUPAC name of N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine (CID 167325681) is N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine.
What is the SMILES notation for N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine?
The canonical SMILES for N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine is c1cc(-c2cccc(N(c3ccccc3-c3cccc4sc5ccccc5c34)c3cccc4sc5ccccc5c34)c2)cc(-c2ccc3ccccc3c2)c1.
What is the InChIKey of N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine?
The InChIKey is VGUVCKOSVFVDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NS2/c1-2-14-35-31-39(30-29-34(35)13-1)37-16-9-15-36(32-37)38-17-10-18-40(33-38)53(46-24-12-28-50-52(46)44-21-5-8-26-48(44)55-50)45-23-6-3-19-41(45)42-22-11-27-49-51(42)43-20-4-7-25-47(43)54-49/h1-33H.
What are the key properties of N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine?
N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(3-naphthalen-2-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-1-ylphenyl)-N-[3-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine is sourced from PubChem (CID 167325681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).