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

C50H33NS — CID 168766669

IUPACN-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
SMILESc1cc(-c2cccc3ccccc23)cc(N(c2cccc(-c3cccc4sc5ccccc5c34)c2)c2ccccc2-c2cccc3ccccc23)c1
InChIInChI=1S/C50H33NS/c1-3-22-40-34(14-1)16-11-26-42(40)36-18-9-20-38(32-36)51(47-29-7-5-24-45(47)44-28-12-17-35-15-2-4-23-41(35)44)39-21-10-19-37(33-39)43-27-13-31-49-50(43)46-25-6-8-30-48(46)52-49/h1-33H
InChIKeyDTKAFZUHEOSHFS-UHFFFAOYSA-N
MW679.89 g/mol
LogP14.83
Rot. Bonds6

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

N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline (PubChem CID 168766669) has the molecular formula C50H33NS and a molecular weight of 679.89 g/mol. Its IUPAC name is N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline.

Molecular Properties

Compound NameN-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
PubChem CID168766669
Molecular FormulaC50H33NS
Molecular Weight679.89 g/mol
Exact Mass679.23
IUPAC NameN-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
SMILESc1cc(-c2cccc3ccccc23)cc(N(c2cccc(-c3cccc4sc5ccccc5c34)c2)c2ccccc2-c2cccc3ccccc23)c1
InChIInChI=1S/C50H33NS/c1-3-22-40-34(14-1)16-11-26-42(40)36-18-9-20-38(32-36)51(47-29-7-5-24-45(47)44-28-12-17-35-15-2-4-23-41(35)44)39-21-10-19-37(33-39)43-27-13-31-49-50(43)46-25-6-8-30-48(46)52-49/h1-33H
InChIKeyDTKAFZUHEOSHFS-UHFFFAOYSA-N
XLogP14.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.89
LogP ≤ 514.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzothiophen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502253
2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline
CID 168767284
N-(3-dibenzothiophen-1-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 168766712
3-dibenzothiophen-1-yl-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767639
N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 167324190
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-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 148814620
N-(2-dibenzothiophen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 167325748
2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 163818280
N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-ylaniline
CID 168767167

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline?
The IUPAC name of N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline (CID 168766669) is N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline.
What is the SMILES notation for N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline?
The canonical SMILES for N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline is c1cc(-c2cccc3ccccc23)cc(N(c2cccc(-c3cccc4sc5ccccc5c34)c2)c2ccccc2-c2cccc3ccccc23)c1.
What is the InChIKey of N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline?
The InChIKey is DTKAFZUHEOSHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NS/c1-3-22-40-34(14-1)16-11-26-42(40)36-18-9-20-38(32-36)51(47-29-7-5-24-45(47)44-28-12-17-35-15-2-4-23-41(35)44)39-21-10-19-37(33-39)43-27-13-31-49-50(43)46-25-6-8-30-48(46)52-49/h1-33H.
What are the key properties of N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline?
N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline has a molecular weight of 679.89 g/mol, XLogP of 14.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 168766669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).