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

C50H33NS — CID 167324838

IUPACN-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
SMILESc1cc(-c2ccc(-c3cccc4ccccc34)cc2)cc(N(c2ccccc2-c2cccc3sc4ccccc4c23)c2cccc3ccccc23)c1
InChIInChI=1S/C50H33NS/c1-3-19-40-35(13-1)15-10-23-41(40)37-31-29-34(30-32-37)38-17-9-18-39(33-38)51(46-26-11-16-36-14-2-4-20-42(36)46)47-25-7-5-21-43(47)44-24-12-28-49-50(44)45-22-6-8-27-48(45)52-49/h1-33H
InChIKeyZFGGBLPBQPCGJP-UHFFFAOYSA-N
MW679.89 g/mol
LogP14.83
Rot. Bonds6

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

N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine (PubChem CID 167324838) has the molecular formula C50H33NS and a molecular weight of 679.89 g/mol. Its IUPAC name is N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
PubChem CID167324838
Molecular FormulaC50H33NS
Molecular Weight679.89 g/mol
Exact Mass679.23
IUPAC NameN-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
SMILESc1cc(-c2ccc(-c3cccc4ccccc34)cc2)cc(N(c2ccccc2-c2cccc3sc4ccccc4c23)c2cccc3ccccc23)c1
InChIInChI=1S/C50H33NS/c1-3-19-40-35(13-1)15-10-23-41(40)37-31-29-34(30-32-37)38-17-9-18-39(33-38)51(46-26-11-16-36-14-2-4-20-42(36)46)47-25-7-5-21-43(47)44-24-12-28-49-50(44)45-22-6-8-27-48(45)52-49/h1-33H
InChIKeyZFGGBLPBQPCGJP-UHFFFAOYSA-N
XLogP14.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.89
LogP ≤ 514.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 167324190
2-dibenzothiophen-1-yl-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 167326060
2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline
CID 168767284
2-dibenzothiophen-1-yl-N-(2-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 167325878
N-(4-dibenzothiophen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502253
N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 168766669
N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 167325681
3-dibenzothiophen-1-yl-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767639
2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 163818280
2-dibenzothiophen-3-yl-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 167325670
N-[3-[3-(N-dibenzothiophen-1-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-1-amine
CID 167086970
N-[4-(5-phenylnaphthalen-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 154605549

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine?
The IUPAC name of N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine (CID 167324838) is N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine is c1cc(-c2ccc(-c3cccc4ccccc34)cc2)cc(N(c2ccccc2-c2cccc3sc4ccccc4c23)c2cccc3ccccc23)c1.
What is the InChIKey of N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine?
The InChIKey is ZFGGBLPBQPCGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NS/c1-3-19-40-35(13-1)15-10-23-41(40)37-31-29-34(30-32-37)38-17-9-18-39(33-38)51(46-26-11-16-36-14-2-4-20-42(36)46)47-25-7-5-21-43(47)44-24-12-28-49-50(44)45-22-6-8-27-48(45)52-49/h1-33H.
What are the key properties of N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine?
N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine has a molecular weight of 679.89 g/mol, XLogP of 14.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 167324838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).