2,3,6,7,8,9-hexadeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,4,6-tetradeuterio-5-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-1-amine

C52H35NO — CID 177069285

About 2,3,6,7,8,9-hexadeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,4,6-tetradeuterio-5-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-1-amine

2,3,6,7,8,9-hexadeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,4,6-tetradeuterio-5-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-1-amine (PubChem CID 177069285) has the molecular formula C52H35NO and a molecular weight of 725.07 g/mol. Its IUPAC name is 2,3,6,7,8,9-hexadeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,4,6-tetradeuterio-5-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-1-amine.

Molecular Properties

• Compound Name: 2,3,6,7,8,9-hexadeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,4,6-tetradeuterio-5-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-1-amine
• PubChem CID: 177069285
• Molecular Formula: C52H35NO
• Molecular Weight: 725.07 g/mol
• Exact Mass: 724.49
• IUPAC Name: 2,3,6,7,8,9-hexadeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,4,6-tetradeuterio-5-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-1-amine
• SMILES: [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3c([2H])c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])c4[2H])c3[2H])c3c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c5c([2H])c([2H])c([2H])c([2H])c45)c4oc5c([2H])c([2H])c([2H])c([2H])c5c34)c([2H])c2[2H])c([2H])c1[2H]
• InChI: InChI=1S/C52H35NO/c1-3-14-36(15-4-1)38-28-30-43(31-29-38)53(44-23-12-22-42(35-44)41-21-11-20-40(34-41)37-16-5-2-6-17-37)49-33-32-47(46-26-13-19-39-18-7-8-24-45(39)46)52-51(49)48-25-9-10-27-50(48)54-52/h1-35H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D,33D,34D,35D
• InChIKey: IDCVVYNAHOQSRS-HNLFIKSUSA-N
• XLogP: 14.88
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	725.07
LogP ≤ 5	14.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2,3,6,7,8,9-hexadeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,4,6-tetradeuterio-5-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-1-amine?

The IUPAC name of 2,3,6,7,8,9-hexadeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,4,6-tetradeuterio-5-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-1-amine (CID 177069285) is 2,3,6,7,8,9-hexadeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,4,6-tetradeuterio-5-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-1-amine.

What is the SMILES notation for 2,3,6,7,8,9-hexadeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,4,6-tetradeuterio-5-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-1-amine?

The canonical SMILES for 2,3,6,7,8,9-hexadeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,4,6-tetradeuterio-5-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-1-amine is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3c([2H])c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])c4[2H])c3[2H])c3c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c5c([2H])c([2H])c([2H])c([2H])c45)c4oc5c([2H])c([2H])c([2H])c([2H])c5c34)c([2H])c2[2H])c([2H])c1[2H].

What is the InChIKey of 2,3,6,7,8,9-hexadeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,4,6-tetradeuterio-5-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-1-amine?

The InChIKey is IDCVVYNAHOQSRS-HNLFIKSUSA-N. The full InChI is InChI=1S/C52H35NO/c1-3-14-36(15-4-1)38-28-30-43(31-29-38)53(44-23-12-22-42(35-44)41-21-11-20-40(34-41)37-16-5-2-6-17-37)49-33-32-47(46-26-13-19-39-18-7-8-24-45(39)46)52-51(49)48-25-9-10-27-50(48)54-52/h1-35H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D,33D,34D,35D.

What are the key properties of 2,3,6,7,8,9-hexadeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,4,6-tetradeuterio-5-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-1-amine?

2,3,6,7,8,9-hexadeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,4,6-tetradeuterio-5-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-1-amine has a molecular weight of 725.07 g/mol, XLogP of 14.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,6,7,8,9-hexadeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,4,6-tetradeuterio-5-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 177069285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).