1,2,3,4,5,6,8,10,11-nonadeuterio-7-methyl-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-(1,3,4,6,7,8-hexadeuterio-5-methylnaphthalen-2-yl)phenyl]-7-(trideuteriomethyl)fluoreno[5,6-b][1]benzofuran-9-amine

C44H33NO — CID 167711363

About 1,2,3,4,5,6,8,10,11-nonadeuterio-7-methyl-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-(1,3,4,6,7,8-hexadeuterio-5-methylnaphthalen-2-yl)phenyl]-7-(trideuteriomethyl)fluoreno[5,6-b][1]benzofuran-9-amine

1,2,3,4,5,6,8,10,11-nonadeuterio-7-methyl-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-(1,3,4,6,7,8-hexadeuterio-5-methylnaphthalen-2-yl)phenyl]-7-(trideuteriomethyl)fluoreno[5,6-b][1]benzofuran-9-amine (PubChem CID 167711363) has the molecular formula C44H33NO and a molecular weight of 618.92 g/mol. Its IUPAC name is 1,2,3,4,5,6,8,10,11-nonadeuterio-7-methyl-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-(1,3,4,6,7,8-hexadeuterio-5-methylnaphthalen-2-yl)phenyl]-7-(trideuteriomethyl)fluoreno[5,6-b][1]benzofuran-9-amine.

Molecular Properties

• Compound Name: 1,2,3,4,5,6,8,10,11-nonadeuterio-7-methyl-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-(1,3,4,6,7,8-hexadeuterio-5-methylnaphthalen-2-yl)phenyl]-7-(trideuteriomethyl)fluoreno[5,6-b][1]benzofuran-9-amine
• PubChem CID: 167711363
• Molecular Formula: C44H33NO
• Molecular Weight: 618.92 g/mol
• Exact Mass: 618.43
• IUPAC Name: 1,2,3,4,5,6,8,10,11-nonadeuterio-7-methyl-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-(1,3,4,6,7,8-hexadeuterio-5-methylnaphthalen-2-yl)phenyl]-7-(trideuteriomethyl)fluoreno[5,6-b][1]benzofuran-9-amine
• SMILES: [2H]c1c([2H])c([2H])c(N(c2c([2H])c([2H])c(-c3c([2H])c([2H])c4c(C)c([2H])c([2H])c([2H])c4c3[2H])c([2H])c2[2H])c2c([2H])c([2H])c3c(c2[2H])C(C)(C([2H])([2H])[2H])c2c([2H])c([2H])c4c(oc5c([2H])c([2H])c([2H])c([2H])c54)c2-3)c([2H])c1[2H]
• InChI: InChI=1S/C44H33NO/c1-28-10-9-11-31-26-30(18-22-35(28)31)29-16-19-33(20-17-29)45(32-12-5-4-6-13-32)34-21-23-38-40(27-34)44(2,3)39-25-24-37-36-14-7-8-15-41(36)46-43(37)42(38)39/h4-27H,1-3H3/i2D3,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D
• InChIKey: FUKJCUZYDIKWHE-RJLXGPPHSA-N
• XLogP: 12.49
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	618.92
LogP ≤ 5	12.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,8,10,11-nonadeuterio-7-methyl-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-(1,3,4,6,7,8-hexadeuterio-5-methylnaphthalen-2-yl)phenyl]-7-(trideuteriomethyl)fluoreno[5,6-b][1]benzofuran-9-amine?

The IUPAC name of 1,2,3,4,5,6,8,10,11-nonadeuterio-7-methyl-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-(1,3,4,6,7,8-hexadeuterio-5-methylnaphthalen-2-yl)phenyl]-7-(trideuteriomethyl)fluoreno[5,6-b][1]benzofuran-9-amine (CID 167711363) is 1,2,3,4,5,6,8,10,11-nonadeuterio-7-methyl-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-(1,3,4,6,7,8-hexadeuterio-5-methylnaphthalen-2-yl)phenyl]-7-(trideuteriomethyl)fluoreno[5,6-b][1]benzofuran-9-amine.

What is the SMILES notation for 1,2,3,4,5,6,8,10,11-nonadeuterio-7-methyl-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-(1,3,4,6,7,8-hexadeuterio-5-methylnaphthalen-2-yl)phenyl]-7-(trideuteriomethyl)fluoreno[5,6-b][1]benzofuran-9-amine?

The canonical SMILES for 1,2,3,4,5,6,8,10,11-nonadeuterio-7-methyl-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-(1,3,4,6,7,8-hexadeuterio-5-methylnaphthalen-2-yl)phenyl]-7-(trideuteriomethyl)fluoreno[5,6-b][1]benzofuran-9-amine is [2H]c1c([2H])c([2H])c(N(c2c([2H])c([2H])c(-c3c([2H])c([2H])c4c(C)c([2H])c([2H])c([2H])c4c3[2H])c([2H])c2[2H])c2c([2H])c([2H])c3c(c2[2H])C(C)(C([2H])([2H])[2H])c2c([2H])c([2H])c4c(oc5c([2H])c([2H])c([2H])c([2H])c54)c2-3)c([2H])c1[2H].

What is the InChIKey of 1,2,3,4,5,6,8,10,11-nonadeuterio-7-methyl-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-(1,3,4,6,7,8-hexadeuterio-5-methylnaphthalen-2-yl)phenyl]-7-(trideuteriomethyl)fluoreno[5,6-b][1]benzofuran-9-amine?

The InChIKey is FUKJCUZYDIKWHE-RJLXGPPHSA-N. The full InChI is InChI=1S/C44H33NO/c1-28-10-9-11-31-26-30(18-22-35(28)31)29-16-19-33(20-17-29)45(32-12-5-4-6-13-32)34-21-23-38-40(27-34)44(2,3)39-25-24-37-36-14-7-8-15-41(36)46-43(37)42(38)39/h4-27H,1-3H3/i2D3,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D.

What are the key properties of 1,2,3,4,5,6,8,10,11-nonadeuterio-7-methyl-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-(1,3,4,6,7,8-hexadeuterio-5-methylnaphthalen-2-yl)phenyl]-7-(trideuteriomethyl)fluoreno[5,6-b][1]benzofuran-9-amine?

1,2,3,4,5,6,8,10,11-nonadeuterio-7-methyl-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-(1,3,4,6,7,8-hexadeuterio-5-methylnaphthalen-2-yl)phenyl]-7-(trideuteriomethyl)fluoreno[5,6-b][1]benzofuran-9-amine has a molecular weight of 618.92 g/mol, XLogP of 12.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,5,6,8,10,11-nonadeuterio-7-methyl-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-(1,3,4,6,7,8-hexadeuterio-5-methylnaphthalen-2-yl)phenyl]-7-(trideuteriomethyl)fluoreno[5,6-b][1]benzofuran-9-amine is sourced from PubChem (CID 167711363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).