2-dibenzothiophen-1-yl-3-phenyl-N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline

C54H37NS — CID 170665716

IUPAC2-dibenzothiophen-1-yl-3-phenyl-N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3cccc(-c4ccccc4)c3-c3cccc4sc5ccccc5c34)c2)cc1
InChIInChI=1S/C54H37NS/c1-4-17-38(18-5-1)42-23-14-24-44(37-42)55(43-35-33-41(34-36-43)46-26-11-10-25-45(46)39-19-6-2-7-20-39)50-30-15-28-47(40-21-8-3-9-22-40)53(50)49-29-16-32-52-54(49)48-27-12-13-31-51(48)56-52/h1-37H
InChIKeyPBRAZNUTDVZYAD-UHFFFAOYSA-N
MW731.96 g/mol
LogP15.86
Rot. Bonds8

About 2-dibenzothiophen-1-yl-3-phenyl-N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline

2-dibenzothiophen-1-yl-3-phenyl-N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline (PubChem CID 170665716) has the molecular formula C54H37NS and a molecular weight of 731.96 g/mol. Its IUPAC name is 2-dibenzothiophen-1-yl-3-phenyl-N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name2-dibenzothiophen-1-yl-3-phenyl-N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
PubChem CID170665716
Molecular FormulaC54H37NS
Molecular Weight731.96 g/mol
Exact Mass731.26
IUPAC Name2-dibenzothiophen-1-yl-3-phenyl-N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3cccc(-c4ccccc4)c3-c3cccc4sc5ccccc5c34)c2)cc1
InChIInChI=1S/C54H37NS/c1-4-17-38(18-5-1)42-23-14-24-44(37-42)55(43-35-33-41(34-36-43)46-26-11-10-25-45(46)39-19-6-2-7-20-39)50-30-15-28-47(40-21-8-3-9-22-40)53(50)49-29-16-32-52-54(49)48-27-12-13-31-51(48)56-52/h1-37H
InChIKeyPBRAZNUTDVZYAD-UHFFFAOYSA-N
XLogP15.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.96
LogP ≤ 515.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzothiophen-1-ylphenyl)-N,3-diphenyl-2-(2-phenylphenyl)aniline
CID 168790141
N-[4-(2-phenylphenyl)phenyl]-N-[3-[2-(3-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine
CID 164744330
N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168789864
N,N-bis[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 164744357
N-phenyl-N-[3-phenyl-2-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 167293295
N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 167293356
N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-N-phenyldibenzofuran-3-amine
CID 167293358
N-(4-dibenzothiophen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502253
N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline
CID 168790075
N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-2-amine
CID 172502933
N-(4-dibenzothiophen-1-ylphenyl)-4-(3,4-diphenylphenyl)-N-phenylaniline
CID 164831978
N-[3-[3-(N-dibenzothiophen-1-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-1-amine
CID 167086970

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-1-yl-3-phenyl-N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline?
The IUPAC name of 2-dibenzothiophen-1-yl-3-phenyl-N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline (CID 170665716) is 2-dibenzothiophen-1-yl-3-phenyl-N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 2-dibenzothiophen-1-yl-3-phenyl-N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline?
The canonical SMILES for 2-dibenzothiophen-1-yl-3-phenyl-N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline is c1ccc(-c2cccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3cccc(-c4ccccc4)c3-c3cccc4sc5ccccc5c34)c2)cc1.
What is the InChIKey of 2-dibenzothiophen-1-yl-3-phenyl-N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline?
The InChIKey is PBRAZNUTDVZYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37NS/c1-4-17-38(18-5-1)42-23-14-24-44(37-42)55(43-35-33-41(34-36-43)46-26-11-10-25-45(46)39-19-6-2-7-20-39)50-30-15-28-47(40-21-8-3-9-22-40)53(50)49-29-16-32-52-54(49)48-27-12-13-31-51(48)56-52/h1-37H.
What are the key properties of 2-dibenzothiophen-1-yl-3-phenyl-N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline?
2-dibenzothiophen-1-yl-3-phenyl-N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline has a molecular weight of 731.96 g/mol, XLogP of 15.86, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-1-yl-3-phenyl-N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 170665716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).