2-dibenzothiophen-1-yl-N-(2-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline

C46H31NS — CID 167325878

IUPAC2-dibenzothiophen-1-yl-N-(2-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3-c3cccc4ccccc34)c3ccccc3-c3cccc4sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C46H31NS/c1-2-14-32(15-3-1)33-28-30-35(31-29-33)47(42-24-9-6-19-38(42)37-22-12-17-34-16-4-5-18-36(34)37)43-25-10-7-20-39(43)40-23-13-27-45-46(40)41-21-8-11-26-44(41)48-45/h1-31H
InChIKeyHYPOHILQMKMJSV-UHFFFAOYSA-N
MW629.83 g/mol
LogP13.68
Rot. Bonds6

About 2-dibenzothiophen-1-yl-N-(2-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline

2-dibenzothiophen-1-yl-N-(2-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline (PubChem CID 167325878) has the molecular formula C46H31NS and a molecular weight of 629.83 g/mol. Its IUPAC name is 2-dibenzothiophen-1-yl-N-(2-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2-dibenzothiophen-1-yl-N-(2-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
PubChem CID167325878
Molecular FormulaC46H31NS
Molecular Weight629.83 g/mol
Exact Mass629.22
IUPAC Name2-dibenzothiophen-1-yl-N-(2-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3-c3cccc4ccccc34)c3ccccc3-c3cccc4sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C46H31NS/c1-2-14-32(15-3-1)33-28-30-35(31-29-33)47(42-24-9-6-19-38(42)37-22-12-17-34-16-4-5-18-36(34)37)43-25-10-7-20-39(43)40-23-13-27-45-46(40)41-21-8-11-26-44(41)48-45/h1-31H
InChIKeyHYPOHILQMKMJSV-UHFFFAOYSA-N
XLogP13.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.83
LogP ≤ 513.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
CID 167324838
N-(4-naphthalen-1-ylphenyl)-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine
CID 139363107
N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 168766669
N-dibenzothiophen-1-yl-4-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069291
N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-1-yl-N-[2-(2-naphthalen-1-ylphenyl)phenyl]aniline
CID 167326359
N-[4-(5-phenylnaphthalen-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 154605549
N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 168766637
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
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167326162
2-dibenzothiophen-3-yl-N-(2-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167324592
N-(4-dibenzothiophen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502253

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-1-yl-N-(2-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline?
The IUPAC name of 2-dibenzothiophen-1-yl-N-(2-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline (CID 167325878) is 2-dibenzothiophen-1-yl-N-(2-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 2-dibenzothiophen-1-yl-N-(2-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for 2-dibenzothiophen-1-yl-N-(2-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccccc3-c3cccc4ccccc34)c3ccccc3-c3cccc4sc5ccccc5c34)cc2)cc1.
What is the InChIKey of 2-dibenzothiophen-1-yl-N-(2-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline?
The InChIKey is HYPOHILQMKMJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31NS/c1-2-14-32(15-3-1)33-28-30-35(31-29-33)47(42-24-9-6-19-38(42)37-22-12-17-34-16-4-5-18-36(34)37)43-25-10-7-20-39(43)40-23-13-27-45-46(40)41-21-8-11-26-44(41)48-45/h1-31H.
What are the key properties of 2-dibenzothiophen-1-yl-N-(2-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline?
2-dibenzothiophen-1-yl-N-(2-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline has a molecular weight of 629.83 g/mol, XLogP of 13.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-1-yl-N-(2-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 167325878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).