N-(3-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine

C52H33NS2 — CID 167396570

IUPACN-(3-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine
SMILESc1ccc(-c2cccc3c2sc2c(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc(-c5ccc6sc7ccccc7c6c5)c4)cccc23)cc1
InChIInChI=1S/C52H33NS2/c1-2-12-36(13-3-1)43-18-9-19-45-46-20-10-21-48(52(46)55-51(43)45)53(41-28-25-35(26-29-41)39-24-23-34-11-4-5-14-37(34)31-39)42-16-8-15-38(32-42)40-27-30-50-47(33-40)44-17-6-7-22-49(44)54-50/h1-33H
InChIKeyWVANJJXETFQIJC-UHFFFAOYSA-N
MW735.98 g/mol
LogP16.05
Rot. Bonds6

About N-(3-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine

N-(3-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine (PubChem CID 167396570) has the molecular formula C52H33NS2 and a molecular weight of 735.98 g/mol. Its IUPAC name is N-(3-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(3-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine
PubChem CID167396570
Molecular FormulaC52H33NS2
Molecular Weight735.98 g/mol
Exact Mass735.21
IUPAC NameN-(3-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine
SMILESc1ccc(-c2cccc3c2sc2c(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc(-c5ccc6sc7ccccc7c6c5)c4)cccc23)cc1
InChIInChI=1S/C52H33NS2/c1-2-12-36(13-3-1)43-18-9-19-45-46-20-10-21-48(52(46)55-51(43)45)53(41-28-25-35(26-29-41)39-24-23-34-11-4-5-14-37(34)31-39)42-16-8-15-38(32-42)40-27-30-50-47(33-40)44-17-6-7-22-49(44)54-50/h1-33H
InChIKeyWVANJJXETFQIJC-UHFFFAOYSA-N
XLogP16.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.98
LogP ≤ 516.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzothiophen-4-amine
CID 167397512
N-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167397750
N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501643
N-[2-[2-[N-(3-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-4-amine
CID 167086407
N-[3-[3-[dibenzothiophen-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167086636
2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 163651994
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-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
CID 168767596
N-dibenzothiophen-2-yl-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167396719
N-[4-(8-phenylnaphthalen-2-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 176590511
N-[2-[2-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 167086408
N-[2-[3-[N-(3-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-4-amine
CID 167087052

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine?
The IUPAC name of N-(3-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine (CID 167396570) is N-(3-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine.
What is the SMILES notation for N-(3-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine?
The canonical SMILES for N-(3-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine is c1ccc(-c2cccc3c2sc2c(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc(-c5ccc6sc7ccccc7c6c5)c4)cccc23)cc1.
What is the InChIKey of N-(3-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine?
The InChIKey is WVANJJXETFQIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NS2/c1-2-12-36(13-3-1)43-18-9-19-45-46-20-10-21-48(52(46)55-51(43)45)53(41-28-25-35(26-29-41)39-24-23-34-11-4-5-14-37(34)31-39)42-16-8-15-38(32-42)40-27-30-50-47(33-40)44-17-6-7-22-49(44)54-50/h1-33H.
What are the key properties of N-(3-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine?
N-(3-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine has a molecular weight of 735.98 g/mol, XLogP of 16.05, 6 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-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine is sourced from PubChem (CID 167396570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).