2,3,5,6-tetradeuterio-4-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9H-fluoren-4-yl)phenyl]aniline

C55H35NO2 — CID 167584125

About 2,3,5,6-tetradeuterio-4-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9H-fluoren-4-yl)phenyl]aniline

2,3,5,6-tetradeuterio-4-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9H-fluoren-4-yl)phenyl]aniline (PubChem CID 167584125) has the molecular formula C55H35NO2 and a molecular weight of 749.94 g/mol. Its IUPAC name is 2,3,5,6-tetradeuterio-4-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9H-fluoren-4-yl)phenyl]aniline.

Molecular Properties

• Compound Name: 2,3,5,6-tetradeuterio-4-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9H-fluoren-4-yl)phenyl]aniline
• PubChem CID: 167584125
• Molecular Formula: C55H35NO2
• Molecular Weight: 749.94 g/mol
• Exact Mass: 749.32
• IUPAC Name: 2,3,5,6-tetradeuterio-4-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9H-fluoren-4-yl)phenyl]aniline
• SMILES: [2H]c1c([2H])c(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2c([2H])c([2H])c(-c3cccc4oc5ccccc5c34)c([2H])c2[2H])c([2H])c([2H])c1-c1cccc2c1-c1ccccc1C2
• InChI: InChI=1S/C55H35NO2/c1-2-12-45-38(10-1)34-39-11-7-15-43(53(39)45)35-22-28-40(29-23-35)56(41-30-24-36(25-31-41)44-16-9-21-52-54(44)49-14-4-6-20-51(49)57-52)42-32-26-37(27-33-42)46-17-8-18-48-47-13-3-5-19-50(47)58-55(46)48/h1-33H,34H2/i22D,23D,24D,25D,28D,29D,30D,31D
• InChIKey: UDMJGCLEHYIQKR-MCEPZVRCSA-N
• XLogP: 15.53
• TPSA: 29.52 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	749.94
LogP ≤ 5	15.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetradeuterio-4-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9H-fluoren-4-yl)phenyl]aniline?

The IUPAC name of 2,3,5,6-tetradeuterio-4-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9H-fluoren-4-yl)phenyl]aniline (CID 167584125) is 2,3,5,6-tetradeuterio-4-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9H-fluoren-4-yl)phenyl]aniline.

What is the SMILES notation for 2,3,5,6-tetradeuterio-4-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9H-fluoren-4-yl)phenyl]aniline?

The canonical SMILES for 2,3,5,6-tetradeuterio-4-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9H-fluoren-4-yl)phenyl]aniline is [2H]c1c([2H])c(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2c([2H])c([2H])c(-c3cccc4oc5ccccc5c34)c([2H])c2[2H])c([2H])c([2H])c1-c1cccc2c1-c1ccccc1C2.

What is the InChIKey of 2,3,5,6-tetradeuterio-4-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9H-fluoren-4-yl)phenyl]aniline?

The InChIKey is UDMJGCLEHYIQKR-MCEPZVRCSA-N. The full InChI is InChI=1S/C55H35NO2/c1-2-12-45-38(10-1)34-39-11-7-15-43(53(39)45)35-22-28-40(29-23-35)56(41-30-24-36(25-31-41)44-16-9-21-52-54(44)49-14-4-6-20-51(49)57-52)42-32-26-37(27-33-42)46-17-8-18-48-47-13-3-5-19-50(47)58-55(46)48/h1-33H,34H2/i22D,23D,24D,25D,28D,29D,30D,31D.

What are the key properties of 2,3,5,6-tetradeuterio-4-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9H-fluoren-4-yl)phenyl]aniline?

2,3,5,6-tetradeuterio-4-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9H-fluoren-4-yl)phenyl]aniline has a molecular weight of 749.94 g/mol, XLogP of 15.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,5,6-tetradeuterio-4-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9H-fluoren-4-yl)phenyl]aniline is sourced from PubChem (CID 167584125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).