1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-(5-phenylnaphthalen-1-yl)-10-(3-phenylphenyl)anthracene

C82H54 — CID 167665462

About 1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-(5-phenylnaphthalen-1-yl)-10-(3-phenylphenyl)anthracene

1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-(5-phenylnaphthalen-1-yl)-10-(3-phenylphenyl)anthracene (PubChem CID 167665462) has the molecular formula C82H54 and a molecular weight of 1062.47 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-(5-phenylnaphthalen-1-yl)-10-(3-phenylphenyl)anthracene.

Molecular Properties

• Compound Name: 1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-(5-phenylnaphthalen-1-yl)-10-(3-phenylphenyl)anthracene
• PubChem CID: 167665462
• Molecular Formula: C82H54
• Molecular Weight: 1062.47 g/mol
• Exact Mass: 1061.57
• IUPAC Name: 1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-(5-phenylnaphthalen-1-yl)-10-(3-phenylphenyl)anthracene
• SMILES: [2H]c1c([2H])c([2H])c2c(-c3c4c([2H])c([2H])c([2H])c([2H])c4c(-c4ccc(-c5ccccc5)c5ccccc45)c4c([2H])c([2H])c([2H])c([2H])c34)c([2H])c([2H])c([2H])c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3cccc4c(-c5ccccc5)cccc34)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3cccc(-c4ccccc4)c3)c2c1[2H]
• InChI: InChI=1S/C42H28.C40H26/c1-3-14-29(15-4-1)31-18-11-19-32(28-31)41-37-20-7-9-22-39(37)42(40-23-10-8-21-38(40)41)36-27-13-25-34-33(24-12-26-35(34)36)30-16-5-2-6-17-30;1-2-13-27(14-3-1)30-25-26-38(32-19-7-6-18-31(30)32)40-36-22-10-8-20-34(36)39(35-21-9-11-23-37(35)40)33-24-12-16-28-15-4-5-17-29(28)33/h1-28H;1-26H/i7D,8D,9D,10D,20D,21D,22D,23D;4D,5D,8D,9D,10D,11D,12D,15D,16D,17D,20D,21D,22D,23D,24D
• InChIKey: SOMOVIOYEBAPJJ-PJMSWNOESA-N
• XLogP: 23.11
• TPSA: 0.00 Ų
• Rotatable Bonds: 7
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1062.47
LogP ≤ 5	23.11
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-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-(5-phenylnaphthalen-1-yl)-10-(3-phenylphenyl)anthracene?

The IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-(5-phenylnaphthalen-1-yl)-10-(3-phenylphenyl)anthracene (CID 167665462) is 1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-(5-phenylnaphthalen-1-yl)-10-(3-phenylphenyl)anthracene.

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

The canonical SMILES for 1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-(5-phenylnaphthalen-1-yl)-10-(3-phenylphenyl)anthracene is [2H]c1c([2H])c([2H])c2c(-c3c4c([2H])c([2H])c([2H])c([2H])c4c(-c4ccc(-c5ccccc5)c5ccccc45)c4c([2H])c([2H])c([2H])c([2H])c34)c([2H])c([2H])c([2H])c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3cccc4c(-c5ccccc5)cccc34)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3cccc(-c4ccccc4)c3)c2c1[2H].

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

The InChIKey is SOMOVIOYEBAPJJ-PJMSWNOESA-N. The full InChI is InChI=1S/C42H28.C40H26/c1-3-14-29(15-4-1)31-18-11-19-32(28-31)41-37-20-7-9-22-39(37)42(40-23-10-8-21-38(40)41)36-27-13-25-34-33(24-12-26-35(34)36)30-16-5-2-6-17-30;1-2-13-27(14-3-1)30-25-26-38(32-19-7-6-18-31(30)32)40-36-22-10-8-20-34(36)39(35-21-9-11-23-37(35)40)33-24-12-16-28-15-4-5-17-29(28)33/h1-28H;1-26H/i7D,8D,9D,10D,20D,21D,22D,23D;4D,5D,8D,9D,10D,11D,12D,15D,16D,17D,20D,21D,22D,23D,24D.

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

1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-(5-phenylnaphthalen-1-yl)-10-(3-phenylphenyl)anthracene has a molecular weight of 1062.47 g/mol, XLogP of 23.11, 7 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-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-(5-phenylnaphthalen-1-yl)-10-(3-phenylphenyl)anthracene is sourced from PubChem (CID 167665462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).