N-(3-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzothiophen-2-amine

C46H29NS2 — CID 168767052

IUPACN-(3-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzothiophen-2-amine
SMILESc1cc(-c2ccc3sc4ccccc4c3c2)cc(N(c2ccc3sc4ccccc4c3c2)c2ccccc2-c2cccc3ccccc23)c1
InChIInChI=1S/C46H29NS2/c1-2-15-35-30(11-1)12-10-19-36(35)37-16-3-6-20-42(37)47(34-24-26-46-41(29-34)39-18-5-8-22-44(39)49-46)33-14-9-13-31(27-33)32-23-25-45-40(28-32)38-17-4-7-21-43(38)48-45/h1-29H
InChIKeyBUUDTXYFQOMHIB-UHFFFAOYSA-N
MW659.88 g/mol
LogP14.38
Rot. Bonds5

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

N-(3-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzothiophen-2-amine (PubChem CID 168767052) has the molecular formula C46H29NS2 and a molecular weight of 659.88 g/mol. Its IUPAC name is N-(3-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(3-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzothiophen-2-amine
PubChem CID168767052
Molecular FormulaC46H29NS2
Molecular Weight659.88 g/mol
Exact Mass659.17
IUPAC NameN-(3-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzothiophen-2-amine
SMILESc1cc(-c2ccc3sc4ccccc4c3c2)cc(N(c2ccc3sc4ccccc4c3c2)c2ccccc2-c2cccc3ccccc23)c1
InChIInChI=1S/C46H29NS2/c1-2-15-35-30(11-1)12-10-19-36(35)37-16-3-6-20-42(37)47(34-24-26-46-41(29-34)39-18-5-8-22-44(39)49-46)33-14-9-13-31(27-33)32-23-25-45-40(28-32)38-17-4-7-21-43(38)48-45/h1-29H
InChIKeyBUUDTXYFQOMHIB-UHFFFAOYSA-N
XLogP14.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.88
LogP ≤ 514.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-dibenzothiophen-4-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168766864
2-dibenzothiophen-2-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167324684
N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 168766637
2-dibenzofuran-1-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)aniline
CID 160994934
2-dibenzothiophen-2-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-phenylaniline
CID 167324864
2-dibenzothiophen-2-yl-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
CID 168767309
3-dibenzothiophen-2-yl-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767039
N-(4-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-1-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-1-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 158074871
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)dibenzothiophen-2-amine
CID 169063321
2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 163651994
N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501643
N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 168766669

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzothiophen-2-amine?
The IUPAC name of N-(3-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzothiophen-2-amine (CID 168767052) is N-(3-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzothiophen-2-amine.
What is the SMILES notation for N-(3-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzothiophen-2-amine?
The canonical SMILES for N-(3-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzothiophen-2-amine is c1cc(-c2ccc3sc4ccccc4c3c2)cc(N(c2ccc3sc4ccccc4c3c2)c2ccccc2-c2cccc3ccccc23)c1.
What is the InChIKey of N-(3-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzothiophen-2-amine?
The InChIKey is BUUDTXYFQOMHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NS2/c1-2-15-35-30(11-1)12-10-19-36(35)37-16-3-6-20-42(37)47(34-24-26-46-41(29-34)39-18-5-8-22-44(39)49-46)33-14-9-13-31(27-33)32-23-25-45-40(28-32)38-17-4-7-21-43(38)48-45/h1-29H.
What are the key properties of N-(3-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzothiophen-2-amine?
N-(3-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzothiophen-2-amine has a molecular weight of 659.88 g/mol, XLogP of 14.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzothiophen-2-amine is sourced from PubChem (CID 168767052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).