1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-10-phenylanthracene;1,2,3,4,5,6,7,8-octadeuterio-9-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-10-(8-phenylnaphthalen-2-yl)anthracene

C118H78 — CID 167578226

About 1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-10-phenylanthracene;1,2,3,4,5,6,7,8-octadeuterio-9-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-10-(8-phenylnaphthalen-2-yl)anthracene

1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-10-phenylanthracene;1,2,3,4,5,6,7,8-octadeuterio-9-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-10-(8-phenylnaphthalen-2-yl)anthracene (PubChem CID 167578226) has the molecular formula C118H78 and a molecular weight of 1530.13 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-10-phenylanthracene;1,2,3,4,5,6,7,8-octadeuterio-9-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-10-(8-phenylnaphthalen-2-yl)anthracene.

Molecular Properties

• Compound Name: 1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-10-phenylanthracene;1,2,3,4,5,6,7,8-octadeuterio-9-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-10-(8-phenylnaphthalen-2-yl)anthracene
• PubChem CID: 167578226
• Molecular Formula: C118H78
• Molecular Weight: 1530.13 g/mol
• Exact Mass: 1528.82
• IUPAC Name: 1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-10-phenylanthracene;1,2,3,4,5,6,7,8-octadeuterio-9-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-10-(8-phenylnaphthalen-2-yl)anthracene
• SMILES: [2H]c1c([2H])c([2H])c(-c2cc(-c3c4c([2H])c([2H])c([2H])c([2H])c4c(-c4ccccc4)c4c([2H])c([2H])c([2H])c([2H])c34)cc3ccccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2ccccc2-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc4cccc(-c5ccccc5)c4c3)c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c2c(-c3cccc4ccccc34)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc4cc(-c5ccccc5)ccc4c3)c2c1[2H]
• InChI: InChI=1S/C42H28.C40H26.C36H24/c1-3-14-29(15-4-1)33-19-7-8-20-35(33)42-38-23-11-9-21-36(38)41(37-22-10-12-24-39(37)42)32-27-26-31-18-13-25-34(40(31)28-32)30-16-5-2-6-17-30;1-2-11-27(12-3-1)29-21-22-31-26-32(24-23-30(31)25-29)39-35-16-6-8-18-37(35)40(38-19-9-7-17-36(38)39)34-20-10-14-28-13-4-5-15-33(28)34;1-3-13-25(14-4-1)34-24-28(23-27-17-7-8-18-29(27)34)36-32-21-11-9-19-30(32)35(26-15-5-2-6-16-26)31-20-10-12-22-33(31)36/h1-28H;1-26H;1-24H/i1D,3D,4D,9D,10D,11D,12D,14D,15D,21D,22D,23D,24D;6D,7D,8D,9D,16D,17D,18D,19D;1D,3D,4D,9D,10D,11D,12D,13D,14D,19D,20D,21D,22D
• InChIKey: GUZBNPFKGZJVNI-MZYFVXHCSA-N
• XLogP: 33.26
• TPSA: 0.00 Ų
• Rotatable Bonds: 10
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1530.13
LogP ≤ 5	33.26
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-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-10-phenylanthracene;1,2,3,4,5,6,7,8-octadeuterio-9-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-10-(8-phenylnaphthalen-2-yl)anthracene?

The IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-10-phenylanthracene;1,2,3,4,5,6,7,8-octadeuterio-9-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-10-(8-phenylnaphthalen-2-yl)anthracene (CID 167578226) is 1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-10-phenylanthracene;1,2,3,4,5,6,7,8-octadeuterio-9-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-10-(8-phenylnaphthalen-2-yl)anthracene.

What is the SMILES notation for 1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-10-phenylanthracene;1,2,3,4,5,6,7,8-octadeuterio-9-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-10-(8-phenylnaphthalen-2-yl)anthracene?

The canonical SMILES for 1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-10-phenylanthracene;1,2,3,4,5,6,7,8-octadeuterio-9-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-10-(8-phenylnaphthalen-2-yl)anthracene is [2H]c1c([2H])c([2H])c(-c2cc(-c3c4c([2H])c([2H])c([2H])c([2H])c4c(-c4ccccc4)c4c([2H])c([2H])c([2H])c([2H])c34)cc3ccccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2ccccc2-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc4cccc(-c5ccccc5)c4c3)c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c2c(-c3cccc4ccccc34)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc4cc(-c5ccccc5)ccc4c3)c2c1[2H].

What is the InChIKey of 1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-10-phenylanthracene;1,2,3,4,5,6,7,8-octadeuterio-9-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-10-(8-phenylnaphthalen-2-yl)anthracene?

The InChIKey is GUZBNPFKGZJVNI-MZYFVXHCSA-N. The full InChI is InChI=1S/C42H28.C40H26.C36H24/c1-3-14-29(15-4-1)33-19-7-8-20-35(33)42-38-23-11-9-21-36(38)41(37-22-10-12-24-39(37)42)32-27-26-31-18-13-25-34(40(31)28-32)30-16-5-2-6-17-30;1-2-11-27(12-3-1)29-21-22-31-26-32(24-23-30(31)25-29)39-35-16-6-8-18-37(35)40(38-19-9-7-17-36(38)39)34-20-10-14-28-13-4-5-15-33(28)34;1-3-13-25(14-4-1)34-24-28(23-27-17-7-8-18-29(27)34)36-32-21-11-9-19-30(32)35(26-15-5-2-6-16-26)31-20-10-12-22-33(31)36/h1-28H;1-26H;1-24H/i1D,3D,4D,9D,10D,11D,12D,14D,15D,21D,22D,23D,24D;6D,7D,8D,9D,16D,17D,18D,19D;1D,3D,4D,9D,10D,11D,12D,13D,14D,19D,20D,21D,22D.

What are the key properties of 1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-10-phenylanthracene;1,2,3,4,5,6,7,8-octadeuterio-9-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-10-(8-phenylnaphthalen-2-yl)anthracene?

1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-10-phenylanthracene;1,2,3,4,5,6,7,8-octadeuterio-9-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-10-(8-phenylnaphthalen-2-yl)anthracene has a molecular weight of 1530.13 g/mol, XLogP of 33.26, 10 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-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-10-phenylanthracene;1,2,3,4,5,6,7,8-octadeuterio-9-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-10-(8-phenylnaphthalen-2-yl)anthracene is sourced from PubChem (CID 167578226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).