1,2,3,4,7,8,9,10-octadeuterio-11-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-6-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)naphtho[2,3-b][1]benzofuran

C36H22O — CID 176777642

About 1,2,3,4,7,8,9,10-octadeuterio-11-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-6-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)naphtho[2,3-b][1]benzofuran

1,2,3,4,7,8,9,10-octadeuterio-11-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-6-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)naphtho[2,3-b][1]benzofuran (PubChem CID 176777642) has the molecular formula C36H22O and a molecular weight of 492.71 g/mol. Its IUPAC name is 1,2,3,4,7,8,9,10-octadeuterio-11-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-6-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)naphtho[2,3-b][1]benzofuran.

Molecular Properties

• Compound Name: 1,2,3,4,7,8,9,10-octadeuterio-11-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-6-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)naphtho[2,3-b][1]benzofuran
• PubChem CID: 176777642
• Molecular Formula: C36H22O
• Molecular Weight: 492.71 g/mol
• Exact Mass: 492.31
• IUPAC Name: 1,2,3,4,7,8,9,10-octadeuterio-11-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-6-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)naphtho[2,3-b][1]benzofuran
• SMILES: [2H]c1c([2H])c([2H])c2c(oc3c(-c4c([2H])c([2H])c([2H])c5c([2H])c([2H])c([2H])c([2H])c45)c4c([2H])c([2H])c([2H])c([2H])c4c(-c4c([2H])c([2H])c5c([2H])c([2H])c([2H])c([2H])c5c4[2H])c32)c1[2H]
• InChI: InChI=1S/C36H22O/c1-2-12-25-22-26(21-20-23(25)10-1)33-29-15-5-6-16-30(29)34(28-18-9-13-24-11-3-4-14-27(24)28)36-35(33)31-17-7-8-19-32(31)37-36/h1-22H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D
• InChIKey: NPRHZWNADNJDTM-SMJVRUDNSA-N
• XLogP: 10.38
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.71
LogP ≤ 5	10.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,7,8,9,10-octadeuterio-11-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-6-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)naphtho[2,3-b][1]benzofuran?

The IUPAC name of 1,2,3,4,7,8,9,10-octadeuterio-11-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-6-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)naphtho[2,3-b][1]benzofuran (CID 176777642) is 1,2,3,4,7,8,9,10-octadeuterio-11-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-6-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)naphtho[2,3-b][1]benzofuran.

What is the SMILES notation for 1,2,3,4,7,8,9,10-octadeuterio-11-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-6-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)naphtho[2,3-b][1]benzofuran?

The canonical SMILES for 1,2,3,4,7,8,9,10-octadeuterio-11-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-6-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)naphtho[2,3-b][1]benzofuran is [2H]c1c([2H])c([2H])c2c(oc3c(-c4c([2H])c([2H])c([2H])c5c([2H])c([2H])c([2H])c([2H])c45)c4c([2H])c([2H])c([2H])c([2H])c4c(-c4c([2H])c([2H])c5c([2H])c([2H])c([2H])c([2H])c5c4[2H])c32)c1[2H].

What is the InChIKey of 1,2,3,4,7,8,9,10-octadeuterio-11-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-6-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)naphtho[2,3-b][1]benzofuran?

The InChIKey is NPRHZWNADNJDTM-SMJVRUDNSA-N. The full InChI is InChI=1S/C36H22O/c1-2-12-25-22-26(21-20-23(25)10-1)33-29-15-5-6-16-30(29)34(28-18-9-13-24-11-3-4-14-27(24)28)36-35(33)31-17-7-8-19-32(31)37-36/h1-22H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D.

What are the key properties of 1,2,3,4,7,8,9,10-octadeuterio-11-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-6-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)naphtho[2,3-b][1]benzofuran?

1,2,3,4,7,8,9,10-octadeuterio-11-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-6-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)naphtho[2,3-b][1]benzofuran has a molecular weight of 492.71 g/mol, XLogP of 10.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,7,8,9,10-octadeuterio-11-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-6-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 176777642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).