2,3,5,6-tetradeuterio-N-(3-dibenzothiophen-1-ylphenyl)-4-(3-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline

C56H37NS — CID 168767708

IUPAC2,3,5,6-tetradeuterio-N-(3-dibenzothiophen-1-ylphenyl)-4-(3-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline
SMILES[2H]c1c([2H])c(N(c2cccc(-c3cccc4sc5ccccc5c34)c2)c2c([2H])c([2H])c(-c3cccc4ccccc34)c([2H])c2[2H])c([2H])c([2H])c1-c1cccc(-c2cccc3ccccc23)c1
InChIInChI=1S/C56H37NS/c1-3-20-48-39(12-1)14-9-23-50(48)41-30-34-46(35-31-41)57(47-19-8-18-44(37-47)52-25-11-27-55-56(52)53-22-5-6-26-54(53)58-55)45-32-28-38(29-33-45)42-16-7-17-43(36-42)51-24-10-15-40-13-2-4-21-49(40)51/h1-37H/i28D,29D,30D,31D,32D,33D,34D,35D
InChIKeyPOCOBDKPTWUCEU-TVWZWGCDSA-N
MW764.03 g/mol
LogP16.50
Rot. Bonds7

About 2,3,5,6-tetradeuterio-N-(3-dibenzothiophen-1-ylphenyl)-4-(3-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline

2,3,5,6-tetradeuterio-N-(3-dibenzothiophen-1-ylphenyl)-4-(3-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline (PubChem CID 168767708) has the molecular formula C56H37NS and a molecular weight of 764.03 g/mol. Its IUPAC name is 2,3,5,6-tetradeuterio-N-(3-dibenzothiophen-1-ylphenyl)-4-(3-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline.

Molecular Properties

Compound Name2,3,5,6-tetradeuterio-N-(3-dibenzothiophen-1-ylphenyl)-4-(3-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline
PubChem CID168767708
Molecular FormulaC56H37NS
Molecular Weight764.03 g/mol
Exact Mass763.31
IUPAC Name2,3,5,6-tetradeuterio-N-(3-dibenzothiophen-1-ylphenyl)-4-(3-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline
SMILES[2H]c1c([2H])c(N(c2cccc(-c3cccc4sc5ccccc5c34)c2)c2c([2H])c([2H])c(-c3cccc4ccccc34)c([2H])c2[2H])c([2H])c([2H])c1-c1cccc(-c2cccc3ccccc23)c1
InChIInChI=1S/C56H37NS/c1-3-20-48-39(12-1)14-9-23-50(48)41-30-34-46(35-31-41)57(47-19-8-18-44(37-47)52-25-11-27-55-56(52)53-22-5-6-26-54(53)58-55)45-32-28-38(29-33-45)42-16-7-17-43(36-42)51-24-10-15-40-13-2-4-21-49(40)51/h1-37H/i28D,29D,30D,31D,32D,33D,34D,35D
InChIKeyPOCOBDKPTWUCEU-TVWZWGCDSA-N
XLogP16.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.03
LogP ≤ 516.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3,5,6-tetradeuterio-N-(3-dibenzothiophen-1-ylphenyl)-4-(3-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline with MolForge

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Related Compounds

N-(3-dibenzothiophen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 168767028
2,3,5,6-tetradeuterio-N-(3-naphthalen-1-ylphenyl)-4-(3-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]aniline
CID 171452705
2,3,5,6-tetradeuterio-N-(3-naphthalen-1-ylphenyl)-4-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 171452161
3-dibenzothiophen-1-yl-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767639
2,3,5,6-tetradeuterio-N-(3-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]aniline
CID 171451381
2,3,5,6-tetradeuterio-N-(3-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yl-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline
CID 168767262
2,3,4,6-tetradeuterio-5-dibenzothiophen-1-yl-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline
CID 168766997
N-(3-dibenzothiophen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 168767291
2,3,5,6-tetradeuterio-N-(3-naphthalen-1-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 171452136
N-(3-dibenzothiophen-1-ylphenyl)-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767282
2,3,5,6-tetradeuterio-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-(3-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]aniline
CID 171452182
2,3,5,6-tetradeuterio-N-(3-naphthalen-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
CID 171452028

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetradeuterio-N-(3-dibenzothiophen-1-ylphenyl)-4-(3-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline?
The IUPAC name of 2,3,5,6-tetradeuterio-N-(3-dibenzothiophen-1-ylphenyl)-4-(3-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline (CID 168767708) is 2,3,5,6-tetradeuterio-N-(3-dibenzothiophen-1-ylphenyl)-4-(3-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline.
What is the SMILES notation for 2,3,5,6-tetradeuterio-N-(3-dibenzothiophen-1-ylphenyl)-4-(3-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline?
The canonical SMILES for 2,3,5,6-tetradeuterio-N-(3-dibenzothiophen-1-ylphenyl)-4-(3-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline is [2H]c1c([2H])c(N(c2cccc(-c3cccc4sc5ccccc5c34)c2)c2c([2H])c([2H])c(-c3cccc4ccccc34)c([2H])c2[2H])c([2H])c([2H])c1-c1cccc(-c2cccc3ccccc23)c1.
What is the InChIKey of 2,3,5,6-tetradeuterio-N-(3-dibenzothiophen-1-ylphenyl)-4-(3-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline?
The InChIKey is POCOBDKPTWUCEU-TVWZWGCDSA-N. The full InChI is InChI=1S/C56H37NS/c1-3-20-48-39(12-1)14-9-23-50(48)41-30-34-46(35-31-41)57(47-19-8-18-44(37-47)52-25-11-27-55-56(52)53-22-5-6-26-54(53)58-55)45-32-28-38(29-33-45)42-16-7-17-43(36-42)51-24-10-15-40-13-2-4-21-49(40)51/h1-37H/i28D,29D,30D,31D,32D,33D,34D,35D.
What are the key properties of 2,3,5,6-tetradeuterio-N-(3-dibenzothiophen-1-ylphenyl)-4-(3-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline?
2,3,5,6-tetradeuterio-N-(3-dibenzothiophen-1-ylphenyl)-4-(3-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline has a molecular weight of 764.03 g/mol, XLogP of 16.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetradeuterio-N-(3-dibenzothiophen-1-ylphenyl)-4-(3-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 168767708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).