1,2,3,4,5,6,8-heptadeuterio-7,9-bis(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-bis(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-9-(2,3,4,5,6-pentadeuteriophenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-7-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9-(2,3,4,5,6-pentadeuteriophenyl)anthracene

C120H78 — CID 159322322

About 1,2,3,4,5,6,8-heptadeuterio-7,9-bis(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-bis(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-9-(2,3,4,5,6-pentadeuteriophenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-7-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9-(2,3,4,5,6-pentadeuteriophenyl)anthracene

1,2,3,4,5,6,8-heptadeuterio-7,9-bis(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-bis(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-9-(2,3,4,5,6-pentadeuteriophenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-7-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9-(2,3,4,5,6-pentadeuteriophenyl)anthracene (PubChem CID 159322322) has the molecular formula C120H78 and a molecular weight of 1598.42 g/mol. Its IUPAC name is 1,2,3,4,5,6,8-heptadeuterio-7,9-bis(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-bis(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-9-(2,3,4,5,6-pentadeuteriophenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-7-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9-(2,3,4,5,6-pentadeuteriophenyl)anthracene.

Molecular Properties

• Compound Name: 1,2,3,4,5,6,8-heptadeuterio-7,9-bis(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-bis(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-9-(2,3,4,5,6-pentadeuteriophenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-7-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9-(2,3,4,5,6-pentadeuteriophenyl)anthracene
• PubChem CID: 159322322
• Molecular Formula: C120H78
• Molecular Weight: 1598.42 g/mol
• Exact Mass: 1597.10
• IUPAC Name: 1,2,3,4,5,6,8-heptadeuterio-7,9-bis(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-bis(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-9-(2,3,4,5,6-pentadeuteriophenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-7-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9-(2,3,4,5,6-pentadeuteriophenyl)anthracene
• SMILES: [2H]c1c([2H])c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3c([2H])c([2H])c4c([2H])c([2H])c([2H])c([2H])c4c3[2H])c3c([2H])c(-c4c([2H])c([2H])c5c([2H])c([2H])c([2H])c([2H])c5c4[2H])c([2H])c([2H])c23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3c([2H])c([2H])c4c([2H])c([2H])c([2H])c([2H])c4c3[2H])c3c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c5c([2H])c([2H])c([2H])c([2H])c45)c([2H])c23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3c([2H])c([2H])c4c([2H])c([2H])c([2H])c([2H])c4c3[2H])c3c([2H])c([2H])c(-c4c([2H])c([2H])c5c([2H])c([2H])c([2H])c([2H])c5c4[2H])c([2H])c23)c([2H])c1[2H]
• InChI: InChI=1S/3C40H26/c1-2-12-29(13-3-1)39-35-16-8-9-17-36(35)40(34-21-19-28-11-5-7-15-31(28)25-34)37-23-22-33(26-38(37)39)32-20-18-27-10-4-6-14-30(27)24-32;1-2-12-29(13-3-1)39-35-16-8-9-17-36(35)40(34-21-19-28-11-5-7-15-31(28)25-34)38-26-33(22-23-37(38)39)32-20-18-27-10-4-6-14-30(27)24-32;1-2-13-29(14-3-1)39-35-18-8-9-19-36(35)40(32-22-21-27-11-4-5-15-30(27)25-32)37-24-23-31(26-38(37)39)34-20-10-16-28-12-6-7-17-33(28)34/h3*1-26H/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
• InChIKey: LDXPKYHNDFONOB-SJICOVJLSA-N
• XLogP: 33.90
• TPSA: 0.00 Ų
• Rotatable Bonds: 9
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1598.42
LogP ≤ 5	33.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,8-heptadeuterio-7,9-bis(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-bis(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-9-(2,3,4,5,6-pentadeuteriophenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-7-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9-(2,3,4,5,6-pentadeuteriophenyl)anthracene?

The IUPAC name of 1,2,3,4,5,6,8-heptadeuterio-7,9-bis(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-bis(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-9-(2,3,4,5,6-pentadeuteriophenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-7-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9-(2,3,4,5,6-pentadeuteriophenyl)anthracene (CID 159322322) is 1,2,3,4,5,6,8-heptadeuterio-7,9-bis(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-bis(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-9-(2,3,4,5,6-pentadeuteriophenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-7-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9-(2,3,4,5,6-pentadeuteriophenyl)anthracene.

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

The canonical SMILES for 1,2,3,4,5,6,8-heptadeuterio-7,9-bis(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-bis(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-9-(2,3,4,5,6-pentadeuteriophenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-7-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9-(2,3,4,5,6-pentadeuteriophenyl)anthracene is [2H]c1c([2H])c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3c([2H])c([2H])c4c([2H])c([2H])c([2H])c([2H])c4c3[2H])c3c([2H])c(-c4c([2H])c([2H])c5c([2H])c([2H])c([2H])c([2H])c5c4[2H])c([2H])c([2H])c23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3c([2H])c([2H])c4c([2H])c([2H])c([2H])c([2H])c4c3[2H])c3c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c5c([2H])c([2H])c([2H])c([2H])c45)c([2H])c23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3c([2H])c([2H])c4c([2H])c([2H])c([2H])c([2H])c4c3[2H])c3c([2H])c([2H])c(-c4c([2H])c([2H])c5c([2H])c([2H])c([2H])c([2H])c5c4[2H])c([2H])c23)c([2H])c1[2H].

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

The InChIKey is LDXPKYHNDFONOB-SJICOVJLSA-N. The full InChI is InChI=1S/3C40H26/c1-2-12-29(13-3-1)39-35-16-8-9-17-36(35)40(34-21-19-28-11-5-7-15-31(28)25-34)37-23-22-33(26-38(37)39)32-20-18-27-10-4-6-14-30(27)24-32;1-2-12-29(13-3-1)39-35-16-8-9-17-36(35)40(34-21-19-28-11-5-7-15-31(28)25-34)38-26-33(22-23-37(38)39)32-20-18-27-10-4-6-14-30(27)24-32;1-2-13-29(14-3-1)39-35-18-8-9-19-36(35)40(32-22-21-27-11-4-5-15-30(27)25-32)37-24-23-31(26-38(37)39)34-20-10-16-28-12-6-7-17-33(28)34/h3*1-26H/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.

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

1,2,3,4,5,6,8-heptadeuterio-7,9-bis(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-bis(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-9-(2,3,4,5,6-pentadeuteriophenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-7-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9-(2,3,4,5,6-pentadeuteriophenyl)anthracene has a molecular weight of 1598.42 g/mol, XLogP of 33.90, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,5,6,8-heptadeuterio-7,9-bis(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-bis(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-9-(2,3,4,5,6-pentadeuteriophenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-7-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9-(2,3,4,5,6-pentadeuteriophenyl)anthracene is sourced from PubChem (CID 159322322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).