N-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine

C46H29NS2 — CID 168767596

IUPACN-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
SMILESc1cc(-c2cccc3c2sc2ccccc23)cc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3sc4ccccc4c3c2)c1
InChIInChI=1S/C46H29NS2/c1-2-10-32-27-33(20-19-30(32)9-1)31-21-23-35(24-22-31)47(37-25-26-45-42(29-37)40-14-4-5-17-43(40)48-45)36-12-7-11-34(28-36)38-15-8-16-41-39-13-3-6-18-44(39)49-46(38)41/h1-29H
InChIKeyFTSSFUMIEYFSBP-UHFFFAOYSA-N
MW659.88 g/mol
LogP14.38
Rot. Bonds5

About N-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine

N-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine (PubChem CID 168767596) has the molecular formula C46H29NS2 and a molecular weight of 659.88 g/mol. Its IUPAC name is N-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
PubChem CID168767596
Molecular FormulaC46H29NS2
Molecular Weight659.88 g/mol
Exact Mass659.17
IUPAC NameN-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
SMILESc1cc(-c2cccc3c2sc2ccccc23)cc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3sc4ccccc4c3c2)c1
InChIInChI=1S/C46H29NS2/c1-2-10-32-27-33(20-19-30(32)9-1)31-21-23-35(24-22-31)47(37-25-26-45-42(29-37)40-14-4-5-17-43(40)48-45)36-12-7-11-34(28-36)38-15-8-16-41-39-13-3-6-18-44(39)49-46(38)41/h1-29H
InChIKeyFTSSFUMIEYFSBP-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,N-bis(4-dibenzothiophen-2-ylphenyl)-3-naphthalen-2-ylaniline
CID 163723915
5-N-(4-dibenzothiophen-4-ylphenyl)-5-N-naphthalen-2-yl-1-N,3-N-bis(3-phenylphenyl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118604879
N-(3-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
CID 168767046
N,N-bis(3-dibenzothiophen-4-ylphenyl)-3-phenylaniline;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine;3-dibenzothiophen-4-yl-N-phenyl-N-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;7-dibenzothiophen-4-yl-N-(3-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 161495248
N-(2-dibenzothiophen-2-ylphenyl)-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-2-naphthalen-2-ylaniline
CID 168767040
N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 168766755
N-(3-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167396570
4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]aniline
CID 70808692
4-[4-[8-(3-dibenzothiophen-4-ylphenyl)dibenzothiophen-2-yl]phenyl]-N,N-diphenylaniline
CID 90076337
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-2-amine
CID 166565819
N-(3-dibenzofuran-1-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 168766676
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-(4-phenylphenyl)aniline
CID 137392484

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine?
The IUPAC name of N-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine (CID 168767596) is N-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine.
What is the SMILES notation for N-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine?
The canonical SMILES for N-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine is c1cc(-c2cccc3c2sc2ccccc23)cc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3sc4ccccc4c3c2)c1.
What is the InChIKey of N-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine?
The InChIKey is FTSSFUMIEYFSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NS2/c1-2-10-32-27-33(20-19-30(32)9-1)31-21-23-35(24-22-31)47(37-25-26-45-42(29-37)40-14-4-5-17-43(40)48-45)36-12-7-11-34(28-36)38-15-8-16-41-39-13-3-6-18-44(39)49-46(38)41/h1-29H.
What are the key properties of N-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine?
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-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-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine is sourced from PubChem (CID 168767596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).