N-(3-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine

C52H35NS — CID 172502469

IUPACN-(3-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2cccc(-c3cccc4ccccc34)c2)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C52H35NS/c1-2-16-36(17-3-1)42-23-6-7-24-44(42)45-25-8-9-26-46(45)47-27-10-12-30-50(47)53(40-32-33-49-48-28-11-13-31-51(48)54-52(49)35-40)39-21-14-20-38(34-39)43-29-15-19-37-18-4-5-22-41(37)43/h1-35H
InChIKeySJWHGTVPEZXMMP-UHFFFAOYSA-N
MW705.93 g/mol
LogP15.35
Rot. Bonds7

About N-(3-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine

N-(3-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine (PubChem CID 172502469) has the molecular formula C52H35NS and a molecular weight of 705.93 g/mol. Its IUPAC name is N-(3-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(3-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine
PubChem CID172502469
Molecular FormulaC52H35NS
Molecular Weight705.93 g/mol
Exact Mass705.25
IUPAC NameN-(3-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2cccc(-c3cccc4ccccc34)c2)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C52H35NS/c1-2-16-36(17-3-1)42-23-6-7-24-44(42)45-25-8-9-26-46(45)47-27-10-12-30-50(47)53(40-32-33-49-48-28-11-13-31-51(48)54-52(49)35-40)39-21-14-20-38(34-39)43-29-15-19-37-18-4-5-22-41(37)43/h1-35H
InChIKeySJWHGTVPEZXMMP-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

2-dibenzothiophen-3-yl-N-[3-(2-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167326186
N-(4-dibenzothiophen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502253
2-dibenzothiophen-3-yl-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 167325670
2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline
CID 168767284
N-(3-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine
CID 167324291
2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167326325
N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 168766669
2-dibenzothiophen-3-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167326227
N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 168766637
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-3-amine
CID 167326130
2-dibenzothiophen-4-yl-N-(3-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767231
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172501525

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine?
The IUPAC name of N-(3-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine (CID 172502469) is N-(3-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine.
What is the SMILES notation for N-(3-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine?
The canonical SMILES for N-(3-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine is c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2cccc(-c3cccc4ccccc34)c2)c2ccc3c(c2)sc2ccccc23)cc1.
What is the InChIKey of N-(3-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine?
The InChIKey is SJWHGTVPEZXMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NS/c1-2-16-36(17-3-1)42-23-6-7-24-44(42)45-25-8-9-26-46(45)47-27-10-12-30-50(47)53(40-32-33-49-48-28-11-13-31-51(48)54-52(49)35-40)39-21-14-20-38(34-39)43-29-15-19-37-18-4-5-22-41(37)43/h1-35H.
What are the key properties of N-(3-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine?
N-(3-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine 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-(3-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine is sourced from PubChem (CID 172502469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).