2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(1,2,3,5,6,7,8,9,10-nonadeuteriophenanthren-4-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(1,2,4,5,6,7,8,9,10-nonadeuteriophenanthren-3-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-2-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran

C150H90O3 — CID 165042775

About 2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(1,2,3,5,6,7,8,9,10-nonadeuteriophenanthren-4-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(1,2,4,5,6,7,8,9,10-nonadeuteriophenanthren-3-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-2-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran

2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(1,2,3,5,6,7,8,9,10-nonadeuteriophenanthren-4-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(1,2,4,5,6,7,8,9,10-nonadeuteriophenanthren-3-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-2-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran (PubChem CID 165042775) has the molecular formula C150H90O3 and a molecular weight of 2030.92 g/mol. Its IUPAC name is 2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(1,2,3,5,6,7,8,9,10-nonadeuteriophenanthren-4-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(1,2,4,5,6,7,8,9,10-nonadeuteriophenanthren-3-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-2-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran.

Molecular Properties

• Compound Name: 2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(1,2,3,5,6,7,8,9,10-nonadeuteriophenanthren-4-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(1,2,4,5,6,7,8,9,10-nonadeuteriophenanthren-3-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-2-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
• PubChem CID: 165042775
• Molecular Formula: C150H90O3
• Molecular Weight: 2030.92 g/mol
• Exact Mass: 2029.25
• IUPAC Name: 2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(1,2,3,5,6,7,8,9,10-nonadeuteriophenanthren-4-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(1,2,4,5,6,7,8,9,10-nonadeuteriophenanthren-3-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-2-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
• SMILES: [2H]c1c([2H])c(-c2c([2H])c([2H])c([2H])c3c([2H])c([2H])c4c([2H])c([2H])c([2H])c([2H])c4c23)c([2H])c([2H])c1-c1c2c([2H])c([2H])c([2H])c([2H])c2c(-c2c([2H])c([2H])c([2H])c3oc4c([2H])c5c([2H])c([2H])c([2H])c([2H])c5c([2H])c4c23)c2c([2H])c([2H])c([2H])c([2H])c12.[2H]c1c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3c([2H])c([2H])c([2H])c4oc5c([2H])c6c([2H])c([2H])c([2H])c([2H])c6c([2H])c5c34)c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c([2H])c1-c1c([2H])c([2H])c2c([2H])c([2H])c3c([2H])c([2H])c([2H])c([2H])c3c2c1[2H].[2H]c1c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3c([2H])c([2H])c([2H])c4oc5c([2H])c6c([2H])c([2H])c([2H])c([2H])c6c([2H])c5c34)c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c([2H])c1-c1c([2H])c([2H])c2c(c1[2H])c([2H])c([2H])c1c([2H])c([2H])c([2H])c([2H])c12
• InChI: InChI=1S/3C50H30O/c1-2-13-36-30-46-44(29-35(36)12-1)50-43(21-10-22-45(50)51-46)49-41-18-7-5-16-39(41)48(40-17-6-8-19-42(40)49)34-27-24-32(25-28-34)38-20-9-14-33-26-23-31-11-3-4-15-37(31)47(33)38;1-2-12-36-30-47-45(29-35(36)11-1)50-43(18-9-19-46(50)51-47)49-41-16-7-5-14-39(41)48(40-15-6-8-17-42(40)49)34-25-20-31(21-26-34)37-27-24-33-23-22-32-10-3-4-13-38(32)44(33)28-37;1-2-12-35-30-47-45(29-34(35)11-1)50-44(18-9-19-46(50)51-47)49-42-16-7-5-14-40(42)48(41-15-6-8-17-43(41)49)33-23-20-31(21-24-33)36-26-27-39-37(28-36)25-22-32-10-3-4-13-38(32)39/h3*1-30H/i3*1D,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
• InChIKey: OKAKAMZQOYVQJP-SMFORQRSSA-N
• XLogP: 43.06
• TPSA: 39.42 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2030.92
LogP ≤ 5	43.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(1,2,3,5,6,7,8,9,10-nonadeuteriophenanthren-4-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(1,2,4,5,6,7,8,9,10-nonadeuteriophenanthren-3-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-2-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran (CID 165042775) is 2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(1,2,3,5,6,7,8,9,10-nonadeuteriophenanthren-4-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(1,2,4,5,6,7,8,9,10-nonadeuteriophenanthren-3-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-2-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran.

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

The canonical SMILES for 2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(1,2,3,5,6,7,8,9,10-nonadeuteriophenanthren-4-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(1,2,4,5,6,7,8,9,10-nonadeuteriophenanthren-3-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-2-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran is [2H]c1c([2H])c(-c2c([2H])c([2H])c([2H])c3c([2H])c([2H])c4c([2H])c([2H])c([2H])c([2H])c4c23)c([2H])c([2H])c1-c1c2c([2H])c([2H])c([2H])c([2H])c2c(-c2c([2H])c([2H])c([2H])c3oc4c([2H])c5c([2H])c([2H])c([2H])c([2H])c5c([2H])c4c23)c2c([2H])c([2H])c([2H])c([2H])c12.[2H]c1c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3c([2H])c([2H])c([2H])c4oc5c([2H])c6c([2H])c([2H])c([2H])c([2H])c6c([2H])c5c34)c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c([2H])c1-c1c([2H])c([2H])c2c([2H])c([2H])c3c([2H])c([2H])c([2H])c([2H])c3c2c1[2H].[2H]c1c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3c([2H])c([2H])c([2H])c4oc5c([2H])c6c([2H])c([2H])c([2H])c([2H])c6c([2H])c5c34)c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c([2H])c1-c1c([2H])c([2H])c2c(c1[2H])c([2H])c([2H])c1c([2H])c([2H])c([2H])c([2H])c12.

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

The InChIKey is OKAKAMZQOYVQJP-SMFORQRSSA-N. The full InChI is InChI=1S/3C50H30O/c1-2-13-36-30-46-44(29-35(36)12-1)50-43(21-10-22-45(50)51-46)49-41-18-7-5-16-39(41)48(40-17-6-8-19-42(40)49)34-27-24-32(25-28-34)38-20-9-14-33-26-23-31-11-3-4-15-37(31)47(33)38;1-2-12-36-30-47-45(29-35(36)11-1)50-43(18-9-19-46(50)51-47)49-41-16-7-5-14-39(41)48(40-15-6-8-17-42(40)49)34-25-20-31(21-26-34)37-27-24-33-23-22-32-10-3-4-13-38(32)44(33)28-37;1-2-12-35-30-47-45(29-34(35)11-1)50-44(18-9-19-46(50)51-47)49-42-16-7-5-14-40(42)48(41-15-6-8-17-43(41)49)33-23-20-31(21-24-33)36-26-27-39-37(28-36)25-22-32-10-3-4-13-38(32)39/h3*1-30H/i3*1D,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.

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

2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(1,2,3,5,6,7,8,9,10-nonadeuteriophenanthren-4-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(1,2,4,5,6,7,8,9,10-nonadeuteriophenanthren-3-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-2-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran has a molecular weight of 2030.92 g/mol, XLogP of 43.06, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(1,2,3,5,6,7,8,9,10-nonadeuteriophenanthren-4-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(1,2,4,5,6,7,8,9,10-nonadeuteriophenanthren-3-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-2-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 165042775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).