2,3,5,6-tetradeuterio-4-phenyl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)aniline

C30H21NO — CID 177127768

IUPAC2,3,5,6-tetradeuterio-4-phenyl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)aniline
SMILES[2H]c1c([2H])c(-c2ccccc2)c([2H])c([2H])c1Nc1c([2H])c([2H])c(-c2cccc3c2oc2ccccc23)c([2H])c1[2H]
InChIInChI=1S/C30H21NO/c1-2-7-21(8-3-1)22-13-17-24(18-14-22)31-25-19-15-23(16-20-25)26-10-6-11-28-27-9-4-5-12-29(27)32-30(26)28/h1-20,31H/i13D,14D,15D,16D,17D,18D,19D,20D
InChIKeyQLVJMUILAGEUOP-WRDZJLSDSA-N
MW419.55 g/mol
LogP8.66
Rot. Bonds4

About 2,3,5,6-tetradeuterio-4-phenyl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)aniline

2,3,5,6-tetradeuterio-4-phenyl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)aniline (PubChem CID 177127768) has the molecular formula C30H21NO and a molecular weight of 419.55 g/mol. Its IUPAC name is 2,3,5,6-tetradeuterio-4-phenyl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)aniline.

Molecular Properties

Compound Name2,3,5,6-tetradeuterio-4-phenyl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)aniline
PubChem CID177127768
Molecular FormulaC30H21NO
Molecular Weight419.55 g/mol
Exact Mass419.21
IUPAC Name2,3,5,6-tetradeuterio-4-phenyl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)aniline
SMILES[2H]c1c([2H])c(-c2ccccc2)c([2H])c([2H])c1Nc1c([2H])c([2H])c(-c2cccc3c2oc2ccccc23)c([2H])c1[2H]
InChIInChI=1S/C30H21NO/c1-2-7-21(8-3-1)22-13-17-24(18-14-22)31-25-19-15-23(16-20-25)26-10-6-11-28-27-9-4-5-12-29(27)32-30(26)28/h1-20,31H/i13D,14D,15D,16D,17D,18D,19D,20D
InChIKeyQLVJMUILAGEUOP-WRDZJLSDSA-N
XLogP8.66
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.55
LogP ≤ 58.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
2,3,5,6-tetradeuterio-N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline
CID 171451664
CID 174029907
CID 174029907
2,3,5,6-tetradeuterio-4-dibenzofuran-4-yl-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 164831777
4-(4-dibenzofuran-4-ylphenyl)aniline
CID 58510844
2,3,5,6-tetradeuterio-4-naphthalen-1-yl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline
CID 171452702
4-[4-[6-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 170289932
4-[2-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 165104271
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-ylaniline
CID 155374295
9,9-diphenyl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 171452548
4-[3-(4-methylphenyl)-5-phenylphenyl]dibenzofuran
CID 70812680
2-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 70332148

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetradeuterio-4-phenyl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)aniline?
The IUPAC name of 2,3,5,6-tetradeuterio-4-phenyl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)aniline (CID 177127768) is 2,3,5,6-tetradeuterio-4-phenyl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)aniline.
What is the SMILES notation for 2,3,5,6-tetradeuterio-4-phenyl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)aniline?
The canonical SMILES for 2,3,5,6-tetradeuterio-4-phenyl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)aniline is [2H]c1c([2H])c(-c2ccccc2)c([2H])c([2H])c1Nc1c([2H])c([2H])c(-c2cccc3c2oc2ccccc23)c([2H])c1[2H].
What is the InChIKey of 2,3,5,6-tetradeuterio-4-phenyl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)aniline?
The InChIKey is QLVJMUILAGEUOP-WRDZJLSDSA-N. The full InChI is InChI=1S/C30H21NO/c1-2-7-21(8-3-1)22-13-17-24(18-14-22)31-25-19-15-23(16-20-25)26-10-6-11-28-27-9-4-5-12-29(27)32-30(26)28/h1-20,31H/i13D,14D,15D,16D,17D,18D,19D,20D.
What are the key properties of 2,3,5,6-tetradeuterio-4-phenyl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)aniline?
2,3,5,6-tetradeuterio-4-phenyl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)aniline has a molecular weight of 419.55 g/mol, XLogP of 8.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetradeuterio-4-phenyl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)aniline is sourced from PubChem (CID 177127768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).