4-(3-dibenzofuran-2-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline

C36H25NO — CID 129086279

IUPAC4-(3-dibenzofuran-2-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
SMILES[2H]c1c([2H])c([2H])c(-c2ccc(Nc3ccc(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)cc3)cc2)c([2H])c1[2H]
InChIInChI=1S/C36H25NO/c1-2-7-25(8-3-1)26-13-18-31(19-14-26)37-32-20-15-27(16-21-32)28-9-6-10-29(23-28)30-17-22-36-34(24-30)33-11-4-5-12-35(33)38-36/h1-24,37H/i1D,2D,3D,7D,8D
InChIKeyYGGAOVGVSSDABN-RCQSQLKUSA-N
MW492.63 g/mol
LogP10.33
Rot. Bonds5

About 4-(3-dibenzofuran-2-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline

4-(3-dibenzofuran-2-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline (PubChem CID 129086279) has the molecular formula C36H25NO and a molecular weight of 492.63 g/mol. Its IUPAC name is 4-(3-dibenzofuran-2-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline.

Molecular Properties

Compound Name4-(3-dibenzofuran-2-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
PubChem CID129086279
Molecular FormulaC36H25NO
Molecular Weight492.63 g/mol
Exact Mass492.22
IUPAC Name4-(3-dibenzofuran-2-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
SMILES[2H]c1c([2H])c([2H])c(-c2ccc(Nc3ccc(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)cc3)cc2)c([2H])c1[2H]
InChIInChI=1S/C36H25NO/c1-2-7-25(8-3-1)26-13-18-31(19-14-26)37-32-20-15-27(16-21-32)28-9-6-10-29(23-28)30-17-22-36-34(24-30)33-11-4-5-12-35(33)38-36/h1-24,37H/i1D,2D,3D,7D,8D
InChIKeyYGGAOVGVSSDABN-RCQSQLKUSA-N
XLogP10.33
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.63
LogP ≤ 510.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[10-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]phenyl]dibenzofuran
CID 170664072
2-(2,3,4,5,6-pentadeuteriophenyl)-8-[10-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 170662569
2-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 153474857
7-(2,3,4,5,6-pentadeuteriophenyl)-2-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170662706
2-(2,3,4,5,6-pentadeuteriophenyl)-8-[10-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 170662216
2-(2,3,4,5,6-pentadeuteriophenyl)-8-[10-(2,3,5,6-tetradeuterio-4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170663486
2-[2,10-bis(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran
CID 170653989
9-(3-dibenzofuran-2-ylphenyl)-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 172524297
2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-8-(4-phenylphenyl)dibenzofuran
CID 167626488
2-[2,3,4,6-tetradeuterio-5-[10-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]phenyl]dibenzofuran
CID 170663536
2-[1,2,3,4,5,6,7,8-octadeuterio-10-[4-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran
CID 176646920
4-dibenzofuran-2-yl-N,3-bis(4-phenylphenyl)aniline
CID 164934515

Frequently Asked Questions

What is the IUPAC name of 4-(3-dibenzofuran-2-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline?
The IUPAC name of 4-(3-dibenzofuran-2-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline (CID 129086279) is 4-(3-dibenzofuran-2-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline.
What is the SMILES notation for 4-(3-dibenzofuran-2-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline?
The canonical SMILES for 4-(3-dibenzofuran-2-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline is [2H]c1c([2H])c([2H])c(-c2ccc(Nc3ccc(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)cc3)cc2)c([2H])c1[2H].
What is the InChIKey of 4-(3-dibenzofuran-2-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline?
The InChIKey is YGGAOVGVSSDABN-RCQSQLKUSA-N. The full InChI is InChI=1S/C36H25NO/c1-2-7-25(8-3-1)26-13-18-31(19-14-26)37-32-20-15-27(16-21-32)28-9-6-10-29(23-28)30-17-22-36-34(24-30)33-11-4-5-12-35(33)38-36/h1-24,37H/i1D,2D,3D,7D,8D.
What are the key properties of 4-(3-dibenzofuran-2-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline?
4-(3-dibenzofuran-2-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline has a molecular weight of 492.63 g/mol, XLogP of 10.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-dibenzofuran-2-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline is sourced from PubChem (CID 129086279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).