N-(4-dibenzothiophen-2-ylphenyl)-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline

C52H35NS — CID 168846083

IUPACN-(4-dibenzothiophen-2-ylphenyl)-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3cccc(-c4cccc(-c5cccc6ccccc56)c4)c3)c2)cc1
InChIInChI=1S/C52H35NS/c1-2-12-36(13-3-1)40-17-9-20-45(33-40)53(44-29-26-37(27-30-44)42-28-31-52-50(35-42)49-23-6-7-25-51(49)54-52)46-21-10-18-41(34-46)39-16-8-19-43(32-39)48-24-11-15-38-14-4-5-22-47(38)48/h1-35H
InChIKeyPHMHLJJIUJNBIV-UHFFFAOYSA-N
MW705.93 g/mol
LogP15.35
Rot. Bonds7

About N-(4-dibenzothiophen-2-ylphenyl)-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline

N-(4-dibenzothiophen-2-ylphenyl)-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline (PubChem CID 168846083) has the molecular formula C52H35NS and a molecular weight of 705.93 g/mol. Its IUPAC name is N-(4-dibenzothiophen-2-ylphenyl)-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline.

Molecular Properties

Compound NameN-(4-dibenzothiophen-2-ylphenyl)-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline
PubChem CID168846083
Molecular FormulaC52H35NS
Molecular Weight705.93 g/mol
Exact Mass705.25
IUPAC NameN-(4-dibenzothiophen-2-ylphenyl)-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3cccc(-c4cccc(-c5cccc6ccccc56)c4)c3)c2)cc1
InChIInChI=1S/C52H35NS/c1-2-12-36(13-3-1)40-17-9-20-45(33-40)53(44-29-26-37(27-30-44)42-28-31-52-50(35-42)49-23-6-7-25-51(49)54-52)46-21-10-18-41(34-46)39-16-8-19-43(32-39)48-24-11-15-38-14-4-5-22-47(38)48/h1-35H
InChIKeyPHMHLJJIUJNBIV-UHFFFAOYSA-N
XLogP15.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.93
LogP ≤ 515.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-dibenzothiophen-2-yl-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767039
3-(8-deuteriodibenzothiophen-2-yl)-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 168766928
2-dibenzothiophen-2-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167324684
2-dibenzothiophen-2-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-phenylaniline
CID 167324864
N,4-diphenyl-N-[4-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]phenyl]aniline;N-[4-[4-[3-(8-naphthalen-1-yldibenzothiophen-2-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-(8-naphthalen-1-yldibenzothiophen-2-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[3-(8-naphthalen-1-yldibenzothiophen-2-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]phenyl]naphthalen-1-amine;4-phenyl-N-[4-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 160840517
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 121261333
N-(2-dibenzothiophen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 167324520
N-(3-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine
CID 167324291
N-(4-dibenzothiophen-2-ylphenyl)-3-phenanthren-3-yl-N-(3-phenanthren-3-ylphenyl)aniline
CID 168747408
N-(4-benzo[c]phenanthren-2-ylphenyl)-3-dibenzothiophen-2-yl-N-phenylaniline
CID 167183579
3-dibenzothiophen-1-yl-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767639
N-(4-dibenzothiophen-2-ylphenyl)-5-naphthalen-1-yl-2-phenyl-N-(4-phenylphenyl)aniline
CID 167236356

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline?
The IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline (CID 168846083) is N-(4-dibenzothiophen-2-ylphenyl)-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline.
What is the SMILES notation for N-(4-dibenzothiophen-2-ylphenyl)-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline?
The canonical SMILES for N-(4-dibenzothiophen-2-ylphenyl)-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline is c1ccc(-c2cccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3cccc(-c4cccc(-c5cccc6ccccc56)c4)c3)c2)cc1.
What is the InChIKey of N-(4-dibenzothiophen-2-ylphenyl)-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline?
The InChIKey is PHMHLJJIUJNBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NS/c1-2-12-36(13-3-1)40-17-9-20-45(33-40)53(44-29-26-37(27-30-44)42-28-31-52-50(35-42)49-23-6-7-25-51(49)54-52)46-21-10-18-41(34-46)39-16-8-19-43(32-39)48-24-11-15-38-14-4-5-22-47(38)48/h1-35H.
What are the key properties of N-(4-dibenzothiophen-2-ylphenyl)-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline?
N-(4-dibenzothiophen-2-ylphenyl)-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline has a molecular weight of 705.93 g/mol, XLogP of 15.35, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-2-ylphenyl)-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline is sourced from PubChem (CID 168846083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).