1,2,3,7,8,9-hexadeuterio-N-[1,2,7,8,9-pentadeuterio-6-[1,2,4,5,7,8-hexadeuterio-9-(trideuteriomethyl)fluoren-9-yl]dibenzofuran-3-yl]-N-[2,3,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-4-amine

C50H33NO2 — CID 169021952

About 1,2,3,7,8,9-hexadeuterio-N-[1,2,7,8,9-pentadeuterio-6-[1,2,4,5,7,8-hexadeuterio-9-(trideuteriomethyl)fluoren-9-yl]dibenzofuran-3-yl]-N-[2,3,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-4-amine

1,2,3,7,8,9-hexadeuterio-N-[1,2,7,8,9-pentadeuterio-6-[1,2,4,5,7,8-hexadeuterio-9-(trideuteriomethyl)fluoren-9-yl]dibenzofuran-3-yl]-N-[2,3,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-4-amine (PubChem CID 169021952) has the molecular formula C50H33NO2 and a molecular weight of 707.99 g/mol. Its IUPAC name is 1,2,3,7,8,9-hexadeuterio-N-[1,2,7,8,9-pentadeuterio-6-[1,2,4,5,7,8-hexadeuterio-9-(trideuteriomethyl)fluoren-9-yl]dibenzofuran-3-yl]-N-[2,3,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-4-amine.

Molecular Properties

• Compound Name: 1,2,3,7,8,9-hexadeuterio-N-[1,2,7,8,9-pentadeuterio-6-[1,2,4,5,7,8-hexadeuterio-9-(trideuteriomethyl)fluoren-9-yl]dibenzofuran-3-yl]-N-[2,3,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-4-amine
• PubChem CID: 169021952
• Molecular Formula: C50H33NO2
• Molecular Weight: 707.99 g/mol
• Exact Mass: 707.43
• IUPAC Name: 1,2,3,7,8,9-hexadeuterio-N-[1,2,7,8,9-pentadeuterio-6-[1,2,4,5,7,8-hexadeuterio-9-(trideuteriomethyl)fluoren-9-yl]dibenzofuran-3-yl]-N-[2,3,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-4-amine
• SMILES: [2H]c1cc([2H])c2c(c1[2H])C(c1c([2H])c([2H])c([2H])c3c1oc1cc(N(c4c([2H])cc(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])c([2H])c4[2H])c4c([2H])c([2H])c([2H])c5c4oc4cc([2H])c([2H])c([2H])c45)c([2H])c([2H])c13)(C([2H])([2H])[2H])c1c([2H])c([2H])cc([2H])c1-2
• InChI: InChI=1S/C50H33NO2/c1-50(42-20-8-5-15-36(42)37-16-6-9-21-43(37)50)44-22-11-18-40-39-30-29-35(31-47(39)53-48(40)44)51(34-27-25-33(26-28-34)32-13-3-2-4-14-32)45-23-12-19-41-38-17-7-10-24-46(38)52-49(41)45/h2-31H,1H3/i1D3,2D,3D,4D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,25D,27D,28D,29D,30D
• InChIKey: IDULDXFAYJYDML-DRIZHBBLSA-N
• XLogP: 13.96
• TPSA: 29.52 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	707.99
LogP ≤ 5	13.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 1,2,3,7,8,9-hexadeuterio-N-[1,2,7,8,9-pentadeuterio-6-[1,2,4,5,7,8-hexadeuterio-9-(trideuteriomethyl)fluoren-9-yl]dibenzofuran-3-yl]-N-[2,3,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-4-amine (CID 169021952) is 1,2,3,7,8,9-hexadeuterio-N-[1,2,7,8,9-pentadeuterio-6-[1,2,4,5,7,8-hexadeuterio-9-(trideuteriomethyl)fluoren-9-yl]dibenzofuran-3-yl]-N-[2,3,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-4-amine.

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

The canonical SMILES for 1,2,3,7,8,9-hexadeuterio-N-[1,2,7,8,9-pentadeuterio-6-[1,2,4,5,7,8-hexadeuterio-9-(trideuteriomethyl)fluoren-9-yl]dibenzofuran-3-yl]-N-[2,3,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-4-amine is [2H]c1cc([2H])c2c(c1[2H])C(c1c([2H])c([2H])c([2H])c3c1oc1cc(N(c4c([2H])cc(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])c([2H])c4[2H])c4c([2H])c([2H])c([2H])c5c4oc4cc([2H])c([2H])c([2H])c45)c([2H])c([2H])c13)(C([2H])([2H])[2H])c1c([2H])c([2H])cc([2H])c1-2.

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

The InChIKey is IDULDXFAYJYDML-DRIZHBBLSA-N. The full InChI is InChI=1S/C50H33NO2/c1-50(42-20-8-5-15-36(42)37-16-6-9-21-43(37)50)44-22-11-18-40-39-30-29-35(31-47(39)53-48(40)44)51(34-27-25-33(26-28-34)32-13-3-2-4-14-32)45-23-12-19-41-38-17-7-10-24-46(38)52-49(41)45/h2-31H,1H3/i1D3,2D,3D,4D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,25D,27D,28D,29D,30D.

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

1,2,3,7,8,9-hexadeuterio-N-[1,2,7,8,9-pentadeuterio-6-[1,2,4,5,7,8-hexadeuterio-9-(trideuteriomethyl)fluoren-9-yl]dibenzofuran-3-yl]-N-[2,3,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-4-amine has a molecular weight of 707.99 g/mol, XLogP of 13.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,7,8,9-hexadeuterio-N-[1,2,7,8,9-pentadeuterio-6-[1,2,4,5,7,8-hexadeuterio-9-(trideuteriomethyl)fluoren-9-yl]dibenzofuran-3-yl]-N-[2,3,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 169021952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).