9-(3,5-diphenylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene;9-(3-naphthalen-1-ylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene;9-(3-naphthalen-2-ylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene

C140H92 — CID 158982412

About 9-(3,5-diphenylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene;9-(3-naphthalen-1-ylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene;9-(3-naphthalen-2-ylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene

9-(3,5-diphenylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene;9-(3-naphthalen-1-ylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene;9-(3-naphthalen-2-ylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene (PubChem CID 158982412) has the molecular formula C140H92 and a molecular weight of 1789.37 g/mol. Its IUPAC name is 9-(3,5-diphenylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene;9-(3-naphthalen-1-ylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene;9-(3-naphthalen-2-ylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene.

Molecular Properties

• Compound Name: 9-(3,5-diphenylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene;9-(3-naphthalen-1-ylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene;9-(3-naphthalen-2-ylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene
• PubChem CID: 158982412
• Molecular Formula: C140H92
• Molecular Weight: 1789.37 g/mol
• Exact Mass: 1787.81
• IUPAC Name: 9-(3,5-diphenylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene;9-(3-naphthalen-1-ylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene;9-(3-naphthalen-2-ylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene
• SMILES: [2H]c1c([2H])c([2H])c(-c2cc(-c3c4ccccc4c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4ccccc34)c3ccccc3c2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cc(-c3c4ccccc4c(-c4cccc(-c5ccc6ccccc6c5)c4)c4ccccc34)c3ccccc3c2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cc(-c3c4ccccc4c(-c4cccc(-c5cccc6ccccc56)c4)c4ccccc34)c3ccccc3c2)c([2H])c1[2H]
• InChI: InChI=1S/C48H32.2C46H30/c1-4-16-33(17-5-1)37-29-38(34-18-6-2-7-19-34)31-40(30-37)47-42-24-12-14-26-44(42)48(45-27-15-13-25-43(45)47)46-32-39(35-20-8-3-9-21-35)28-36-22-10-11-23-41(36)46;1-2-14-31(15-3-1)36-29-33-17-5-7-22-39(33)44(30-36)46-42-25-10-8-23-40(42)45(41-24-9-11-26-43(41)46)35-20-12-19-34(28-35)38-27-13-18-32-16-4-6-21-37(32)38;1-2-13-31(14-3-1)38-29-36-17-6-7-20-39(36)44(30-38)46-42-23-10-8-21-40(42)45(41-22-9-11-24-43(41)46)37-19-12-18-34(28-37)35-26-25-32-15-4-5-16-33(32)27-35/h1-32H;2*1-30H/i3D,8D,9D,20D,21D;1D,2D,3D,14D,15D;1D,2D,3D,13D,14D
• InChIKey: JPEBFMYFPRMEKI-IAMSYPMRSA-N
• XLogP: 39.42
• TPSA: 0.00 Ų
• Rotatable Bonds: 13
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1789.37
LogP ≤ 5	39.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-(3,5-diphenylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene;9-(3-naphthalen-1-ylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene;9-(3-naphthalen-2-ylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene?

The IUPAC name of 9-(3,5-diphenylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene;9-(3-naphthalen-1-ylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene;9-(3-naphthalen-2-ylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene (CID 158982412) is 9-(3,5-diphenylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene;9-(3-naphthalen-1-ylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene;9-(3-naphthalen-2-ylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene.

What is the SMILES notation for 9-(3,5-diphenylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene;9-(3-naphthalen-1-ylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene;9-(3-naphthalen-2-ylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene?

The canonical SMILES for 9-(3,5-diphenylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene;9-(3-naphthalen-1-ylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene;9-(3-naphthalen-2-ylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene is [2H]c1c([2H])c([2H])c(-c2cc(-c3c4ccccc4c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4ccccc34)c3ccccc3c2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cc(-c3c4ccccc4c(-c4cccc(-c5ccc6ccccc6c5)c4)c4ccccc34)c3ccccc3c2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cc(-c3c4ccccc4c(-c4cccc(-c5cccc6ccccc56)c4)c4ccccc34)c3ccccc3c2)c([2H])c1[2H].

What is the InChIKey of 9-(3,5-diphenylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene;9-(3-naphthalen-1-ylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene;9-(3-naphthalen-2-ylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene?

The InChIKey is JPEBFMYFPRMEKI-IAMSYPMRSA-N. The full InChI is InChI=1S/C48H32.2C46H30/c1-4-16-33(17-5-1)37-29-38(34-18-6-2-7-19-34)31-40(30-37)47-42-24-12-14-26-44(42)48(45-27-15-13-25-43(45)47)46-32-39(35-20-8-3-9-21-35)28-36-22-10-11-23-41(36)46;1-2-14-31(15-3-1)36-29-33-17-5-7-22-39(33)44(30-36)46-42-25-10-8-23-40(42)45(41-24-9-11-26-43(41)46)35-20-12-19-34(28-35)38-27-13-18-32-16-4-6-21-37(32)38;1-2-13-31(14-3-1)38-29-36-17-6-7-20-39(36)44(30-38)46-42-23-10-8-21-40(42)45(41-22-9-11-24-43(41)46)37-19-12-18-34(28-37)35-26-25-32-15-4-5-16-33(32)27-35/h1-32H;2*1-30H/i3D,8D,9D,20D,21D;1D,2D,3D,14D,15D;1D,2D,3D,13D,14D.

What are the key properties of 9-(3,5-diphenylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene;9-(3-naphthalen-1-ylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene;9-(3-naphthalen-2-ylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene?

9-(3,5-diphenylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene;9-(3-naphthalen-1-ylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene;9-(3-naphthalen-2-ylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene has a molecular weight of 1789.37 g/mol, XLogP of 39.42, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(3,5-diphenylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene;9-(3-naphthalen-1-ylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene;9-(3-naphthalen-2-ylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene is sourced from PubChem (CID 158982412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).