1,2,3,4,5,6,7,8-octadeuterio-9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-10-(2,3,4,5,6,7-hexadeuterionaphthalen-1-yl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6,7-hexadeuterionaphthalen-1-yl)-10-(4-naphthalen-2-ylphenyl)anthracene

C114H74 — CID 161231985

About 1,2,3,4,5,6,7,8-octadeuterio-9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-10-(2,3,4,5,6,7-hexadeuterionaphthalen-1-yl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6,7-hexadeuterionaphthalen-1-yl)-10-(4-naphthalen-2-ylphenyl)anthracene

1,2,3,4,5,6,7,8-octadeuterio-9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-10-(2,3,4,5,6,7-hexadeuterionaphthalen-1-yl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6,7-hexadeuterionaphthalen-1-yl)-10-(4-naphthalen-2-ylphenyl)anthracene (PubChem CID 161231985) has the molecular formula C114H74 and a molecular weight of 1498.18 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octadeuterio-9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-10-(2,3,4,5,6,7-hexadeuterionaphthalen-1-yl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6,7-hexadeuterionaphthalen-1-yl)-10-(4-naphthalen-2-ylphenyl)anthracene.

Molecular Properties

• Compound Name: 1,2,3,4,5,6,7,8-octadeuterio-9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-10-(2,3,4,5,6,7-hexadeuterionaphthalen-1-yl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6,7-hexadeuterionaphthalen-1-yl)-10-(4-naphthalen-2-ylphenyl)anthracene
• PubChem CID: 161231985
• Molecular Formula: C114H74
• Molecular Weight: 1498.18 g/mol
• Exact Mass: 1496.92
• IUPAC Name: 1,2,3,4,5,6,7,8-octadeuterio-9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-10-(2,3,4,5,6,7-hexadeuterionaphthalen-1-yl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6,7-hexadeuterionaphthalen-1-yl)-10-(4-naphthalen-2-ylphenyl)anthracene
• SMILES: [2H]c1c([2H])c(-c2cccc3ccccc23)c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3c([2H])c([2H])c([2H])c4c([2H])c([2H])c([2H])c([2H])c34)c3c([2H])c([2H])c([2H])c([2H])c23)c1[2H].[2H]c1cc2c(-c3c4c([2H])c([2H])c([2H])c([2H])c4c(-c4c([2H])c([2H])c5c([2H])c([2H])c([2H])c([2H])c5c4[2H])c4c([2H])c([2H])c([2H])c([2H])c34)c([2H])c([2H])c([2H])c2c([2H])c1[2H].[2H]c1cc2c(-c3c4c([2H])c([2H])c([2H])c([2H])c4c(-c4ccc(-c5ccc6ccccc6c5)cc4)c4c([2H])c([2H])c([2H])c([2H])c34)c([2H])c([2H])c([2H])c2c([2H])c1[2H]
• InChI: InChI=1S/2C40H26.C34H22/c1-3-18-31-27(12-1)14-10-24-33(31)29-16-9-17-30(26-29)39-35-20-5-7-22-37(35)40(38-23-8-6-21-36(38)39)34-25-11-15-28-13-2-4-19-32(28)34;1-2-12-31-26-32(25-22-27(31)10-1)28-20-23-30(24-21-28)39-35-15-5-7-17-37(35)40(38-18-8-6-16-36(38)39)34-19-9-13-29-11-3-4-14-33(29)34;1-2-12-25-22-26(21-20-23(25)10-1)33-29-15-5-7-17-31(29)34(32-18-8-6-16-30(32)33)28-19-9-13-24-11-3-4-14-27(24)28/h2*1-26H;1-22H/i2D,4D,5D,6D,7D,8D,9D,11D,13D,15D,16D,17D,19D,20D,21D,22D,23D,25D,26D;3D,4D,5D,6D,7D,8D,9D,11D,13D,15D,16D,17D,18D,19D;1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,15D,16D,17D,18D,19D,20D,21D,22D
• InChIKey: UYWHMINUEBPJCU-XRGHCWBESA-N
• XLogP: 32.23
• TPSA: 0.00 Ų
• Rotatable Bonds: 8
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1498.18
LogP ≤ 5	32.23
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 1,2,3,4,5,6,7,8-octadeuterio-9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-10-(2,3,4,5,6,7-hexadeuterionaphthalen-1-yl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6,7-hexadeuterionaphthalen-1-yl)-10-(4-naphthalen-2-ylphenyl)anthracene?

The IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-10-(2,3,4,5,6,7-hexadeuterionaphthalen-1-yl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6,7-hexadeuterionaphthalen-1-yl)-10-(4-naphthalen-2-ylphenyl)anthracene (CID 161231985) is 1,2,3,4,5,6,7,8-octadeuterio-9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-10-(2,3,4,5,6,7-hexadeuterionaphthalen-1-yl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6,7-hexadeuterionaphthalen-1-yl)-10-(4-naphthalen-2-ylphenyl)anthracene.

What is the SMILES notation for 1,2,3,4,5,6,7,8-octadeuterio-9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-10-(2,3,4,5,6,7-hexadeuterionaphthalen-1-yl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6,7-hexadeuterionaphthalen-1-yl)-10-(4-naphthalen-2-ylphenyl)anthracene?

The canonical SMILES for 1,2,3,4,5,6,7,8-octadeuterio-9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-10-(2,3,4,5,6,7-hexadeuterionaphthalen-1-yl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6,7-hexadeuterionaphthalen-1-yl)-10-(4-naphthalen-2-ylphenyl)anthracene is [2H]c1c([2H])c(-c2cccc3ccccc23)c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3c([2H])c([2H])c([2H])c4c([2H])c([2H])c([2H])c([2H])c34)c3c([2H])c([2H])c([2H])c([2H])c23)c1[2H].[2H]c1cc2c(-c3c4c([2H])c([2H])c([2H])c([2H])c4c(-c4c([2H])c([2H])c5c([2H])c([2H])c([2H])c([2H])c5c4[2H])c4c([2H])c([2H])c([2H])c([2H])c34)c([2H])c([2H])c([2H])c2c([2H])c1[2H].[2H]c1cc2c(-c3c4c([2H])c([2H])c([2H])c([2H])c4c(-c4ccc(-c5ccc6ccccc6c5)cc4)c4c([2H])c([2H])c([2H])c([2H])c34)c([2H])c([2H])c([2H])c2c([2H])c1[2H].

What is the InChIKey of 1,2,3,4,5,6,7,8-octadeuterio-9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-10-(2,3,4,5,6,7-hexadeuterionaphthalen-1-yl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6,7-hexadeuterionaphthalen-1-yl)-10-(4-naphthalen-2-ylphenyl)anthracene?

The InChIKey is UYWHMINUEBPJCU-XRGHCWBESA-N. The full InChI is InChI=1S/2C40H26.C34H22/c1-3-18-31-27(12-1)14-10-24-33(31)29-16-9-17-30(26-29)39-35-20-5-7-22-37(35)40(38-23-8-6-21-36(38)39)34-25-11-15-28-13-2-4-19-32(28)34;1-2-12-31-26-32(25-22-27(31)10-1)28-20-23-30(24-21-28)39-35-15-5-7-17-37(35)40(38-18-8-6-16-36(38)39)34-19-9-13-29-11-3-4-14-33(29)34;1-2-12-25-22-26(21-20-23(25)10-1)33-29-15-5-7-17-31(29)34(32-18-8-6-16-30(32)33)28-19-9-13-24-11-3-4-14-27(24)28/h2*1-26H;1-22H/i2D,4D,5D,6D,7D,8D,9D,11D,13D,15D,16D,17D,19D,20D,21D,22D,23D,25D,26D;3D,4D,5D,6D,7D,8D,9D,11D,13D,15D,16D,17D,18D,19D;1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,15D,16D,17D,18D,19D,20D,21D,22D.

What are the key properties of 1,2,3,4,5,6,7,8-octadeuterio-9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-10-(2,3,4,5,6,7-hexadeuterionaphthalen-1-yl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6,7-hexadeuterionaphthalen-1-yl)-10-(4-naphthalen-2-ylphenyl)anthracene?

1,2,3,4,5,6,7,8-octadeuterio-9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-10-(2,3,4,5,6,7-hexadeuterionaphthalen-1-yl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6,7-hexadeuterionaphthalen-1-yl)-10-(4-naphthalen-2-ylphenyl)anthracene has a molecular weight of 1498.18 g/mol, XLogP of 32.23, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,5,6,7,8-octadeuterio-9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-10-(2,3,4,5,6,7-hexadeuterionaphthalen-1-yl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6,7-hexadeuterionaphthalen-1-yl)-10-(4-naphthalen-2-ylphenyl)anthracene is sourced from PubChem (CID 161231985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).