2,6-di(dibenzothiophen-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline

C58H37NS2 — CID 122646680

IUPAC2,6-di(dibenzothiophen-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3c(-c4cccc5c4sc4ccccc45)cccc3-c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C58H37NS2/c1-2-13-38(14-3-1)40-29-33-44(34-30-40)59(45-35-31-41(32-36-45)43-28-27-39-15-4-5-16-42(39)37-43)56-48(52-23-11-21-50-46-17-6-8-25-54(46)60-57(50)52)19-10-20-49(56)53-24-12-22-51-47-18-7-9-26-55(47)61-58(51)53/h1-37H
InChIKeyQBFVGDXTTXBIFE-UHFFFAOYSA-N
MW812.08 g/mol
LogP17.71
Rot. Bonds7

About 2,6-di(dibenzothiophen-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline

2,6-di(dibenzothiophen-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline (PubChem CID 122646680) has the molecular formula C58H37NS2 and a molecular weight of 812.08 g/mol. Its IUPAC name is 2,6-di(dibenzothiophen-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2,6-di(dibenzothiophen-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
PubChem CID122646680
Molecular FormulaC58H37NS2
Molecular Weight812.08 g/mol
Exact Mass811.24
IUPAC Name2,6-di(dibenzothiophen-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3c(-c4cccc5c4sc4ccccc45)cccc3-c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C58H37NS2/c1-2-13-38(14-3-1)40-29-33-44(34-30-40)59(45-35-31-41(32-36-45)43-28-27-39-15-4-5-16-42(39)37-43)56-48(52-23-11-21-50-46-17-6-8-25-54(46)60-57(50)52)19-10-20-49(56)53-24-12-22-51-47-18-7-9-26-55(47)61-58(51)53/h1-37H
InChIKeyQBFVGDXTTXBIFE-UHFFFAOYSA-N
XLogP17.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.08
LogP ≤ 517.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
CID 154960998
4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]aniline
CID 70808692
2-dibenzothiophen-4-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 167325271
N-(4-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-phenyldibenzothiophen-4-amine
CID 171435299
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 137392432
5-N-(4-dibenzothiophen-4-ylphenyl)-5-N-naphthalen-2-yl-1-N,3-N-bis(3-phenylphenyl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118604879
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzothiophen-4-amine
CID 171434428
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-4-(4-naphthalen-2-ylphenyl)aniline
CID 169063836
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118405906
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 166566107
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-(4-phenylphenyl)aniline
CID 137392484
N-(4-naphthalen-1-ylphenyl)-N-[4-(7-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 154605620

Frequently Asked Questions

What is the IUPAC name of 2,6-di(dibenzothiophen-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline?
The IUPAC name of 2,6-di(dibenzothiophen-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline (CID 122646680) is 2,6-di(dibenzothiophen-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 2,6-di(dibenzothiophen-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for 2,6-di(dibenzothiophen-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3c(-c4cccc5c4sc4ccccc45)cccc3-c3cccc4c3sc3ccccc34)cc2)cc1.
What is the InChIKey of 2,6-di(dibenzothiophen-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline?
The InChIKey is QBFVGDXTTXBIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NS2/c1-2-13-38(14-3-1)40-29-33-44(34-30-40)59(45-35-31-41(32-36-45)43-28-27-39-15-4-5-16-42(39)37-43)56-48(52-23-11-21-50-46-17-6-8-25-54(46)60-57(50)52)19-10-20-49(56)53-24-12-22-51-47-18-7-9-26-55(47)61-58(51)53/h1-37H.
What are the key properties of 2,6-di(dibenzothiophen-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline?
2,6-di(dibenzothiophen-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline has a molecular weight of 812.08 g/mol, XLogP of 17.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(dibenzothiophen-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 122646680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).