1,2,3,4,6,8,10-heptadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-9-(2,3,4,6-tetradeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5-tetradeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuteriophenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine

C52H35NO — CID 171752091

About 1,2,3,4,6,8,10-heptadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-9-(2,3,4,6-tetradeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5-tetradeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuteriophenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine

1,2,3,4,6,8,10-heptadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-9-(2,3,4,6-tetradeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5-tetradeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuteriophenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171752091) has the molecular formula C52H35NO and a molecular weight of 722.05 g/mol. Its IUPAC name is 1,2,3,4,6,8,10-heptadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-9-(2,3,4,6-tetradeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5-tetradeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuteriophenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

• Compound Name: 1,2,3,4,6,8,10-heptadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-9-(2,3,4,6-tetradeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5-tetradeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuteriophenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
• PubChem CID: 171752091
• Molecular Formula: C52H35NO
• Molecular Weight: 722.05 g/mol
• Exact Mass: 721.47
• IUPAC Name: 1,2,3,4,6,8,10-heptadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-9-(2,3,4,6-tetradeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5-tetradeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuteriophenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
• SMILES: [2H]c1cc(-c2c([2H])c([2H])c(N(c3c([2H])c([2H])c(-c4c([2H])cc([2H])c([2H])c4[2H])c([2H])c3[2H])c3c([2H])c(-c4c([2H])cc([2H])c([2H])c4[2H])c([2H])c4oc5c6c([2H])c([2H])c([2H])c([2H])c6c(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])c([2H])c5c34)c([2H])c2[2H])c([2H])c([2H])c1[2H]
• InChI: InChI=1S/C52H35NO/c1-5-15-36(16-6-1)39-25-29-43(30-26-39)53(44-31-27-40(28-32-44)37-17-7-2-8-18-37)49-33-42(38-19-9-3-10-20-38)34-50-51(49)48-35-47(41-21-11-4-12-22-41)45-23-13-14-24-46(45)52(48)54-50/h1-35H/i1D,2D,3D,4D,5D,6D,7D,9D,11D,12D,13D,14D,15D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D,33D,34D,35D
• InChIKey: KGYVMSLVQFNBEN-UTBNIDFLSA-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	722.05
LogP ≤ 5	14.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,6,8,10-heptadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-9-(2,3,4,6-tetradeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5-tetradeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuteriophenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?

The IUPAC name of 1,2,3,4,6,8,10-heptadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-9-(2,3,4,6-tetradeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5-tetradeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuteriophenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (CID 171752091) is 1,2,3,4,6,8,10-heptadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-9-(2,3,4,6-tetradeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5-tetradeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuteriophenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.

What is the SMILES notation for 1,2,3,4,6,8,10-heptadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-9-(2,3,4,6-tetradeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5-tetradeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuteriophenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?

The canonical SMILES for 1,2,3,4,6,8,10-heptadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-9-(2,3,4,6-tetradeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5-tetradeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuteriophenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is [2H]c1cc(-c2c([2H])c([2H])c(N(c3c([2H])c([2H])c(-c4c([2H])cc([2H])c([2H])c4[2H])c([2H])c3[2H])c3c([2H])c(-c4c([2H])cc([2H])c([2H])c4[2H])c([2H])c4oc5c6c([2H])c([2H])c([2H])c([2H])c6c(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])c([2H])c5c34)c([2H])c2[2H])c([2H])c([2H])c1[2H].

What is the InChIKey of 1,2,3,4,6,8,10-heptadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-9-(2,3,4,6-tetradeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5-tetradeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuteriophenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?

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

1,2,3,4,6,8,10-heptadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-9-(2,3,4,6-tetradeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5-tetradeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuteriophenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 722.05 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 1,2,3,4,6,8,10-heptadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-9-(2,3,4,6-tetradeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5-tetradeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuteriophenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171752091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).