N-(2-dibenzothiophen-4-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-1-amine

C46H29NS2 — CID 167326312

IUPACN-(2-dibenzothiophen-4-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-1-amine
SMILESc1ccc(N(c2ccccc2-c2cccc3c2sc2ccccc23)c2cccc3sc4ccccc4c23)c(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C46H29NS2/c1-2-14-31-29-32(28-27-30(31)13-1)33-15-3-7-21-39(33)47(41-23-12-26-44-45(41)38-18-6-10-25-43(38)48-44)40-22-8-4-16-34(40)36-19-11-20-37-35-17-5-9-24-42(35)49-46(36)37/h1-29H
InChIKeyULSXCYZOGBJCTF-UHFFFAOYSA-N
MW659.88 g/mol
LogP14.38
Rot. Bonds5

About N-(2-dibenzothiophen-4-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-1-amine

N-(2-dibenzothiophen-4-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-1-amine (PubChem CID 167326312) has the molecular formula C46H29NS2 and a molecular weight of 659.88 g/mol. Its IUPAC name is N-(2-dibenzothiophen-4-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-(2-dibenzothiophen-4-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-1-amine
PubChem CID167326312
Molecular FormulaC46H29NS2
Molecular Weight659.88 g/mol
Exact Mass659.17
IUPAC NameN-(2-dibenzothiophen-4-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-1-amine
SMILESc1ccc(N(c2ccccc2-c2cccc3c2sc2ccccc23)c2cccc3sc4ccccc4c23)c(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C46H29NS2/c1-2-14-31-29-32(28-27-30(31)13-1)33-15-3-7-21-39(33)47(41-23-12-26-44-45(41)38-18-6-10-25-43(38)48-44)40-22-8-4-16-34(40)36-19-11-20-37-35-17-5-9-24-42(35)49-46(36)37/h1-29H
InChIKeyULSXCYZOGBJCTF-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

N-(2-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-1-amine
CID 167325431
2-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 167324943
N-(2-dibenzothiophen-4-ylphenyl)-2-(2-naphthalen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 167326153
2-dibenzothiophen-4-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 167325271
N-(2-dibenzothiophen-2-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 167325782
N-(2-dibenzofuran-2-ylphenyl)-N-[2-(2-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 167325957
N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(2-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 167325385
N-dibenzothiophen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzothiophen-4-amine
CID 167323759
N-(3-dibenzothiophen-3-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-2-ylaniline
CID 168766635
N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 167325681
2-dibenzothiophen-3-yl-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)aniline
CID 168766751
N-(2-dibenzothiophen-2-ylphenyl)-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-2-naphthalen-2-ylaniline
CID 168767040

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzothiophen-4-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-1-amine?
The IUPAC name of N-(2-dibenzothiophen-4-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-1-amine (CID 167326312) is N-(2-dibenzothiophen-4-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-1-amine.
What is the SMILES notation for N-(2-dibenzothiophen-4-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-1-amine?
The canonical SMILES for N-(2-dibenzothiophen-4-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-1-amine is c1ccc(N(c2ccccc2-c2cccc3c2sc2ccccc23)c2cccc3sc4ccccc4c23)c(-c2ccc3ccccc3c2)c1.
What is the InChIKey of N-(2-dibenzothiophen-4-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-1-amine?
The InChIKey is ULSXCYZOGBJCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NS2/c1-2-14-31-29-32(28-27-30(31)13-1)33-15-3-7-21-39(33)47(41-23-12-26-44-45(41)38-18-6-10-25-43(38)48-44)40-22-8-4-16-34(40)36-19-11-20-37-35-17-5-9-24-42(35)49-46(36)37/h1-29H.
What are the key properties of N-(2-dibenzothiophen-4-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-1-amine?
N-(2-dibenzothiophen-4-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-1-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-(2-dibenzothiophen-4-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-1-amine is sourced from PubChem (CID 167326312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).