3,4,5,6,7,8-hexadeuterio-2-[2,3,5,6,7,8-hexadeuterio-4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline;3,4,5,6,7,8-hexadeuterio-2-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline;2-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline

C174H108N8 — CID 163694195

About 3,4,5,6,7,8-hexadeuterio-2-[2,3,5,6,7,8-hexadeuterio-4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline;3,4,5,6,7,8-hexadeuterio-2-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline;2-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline

3,4,5,6,7,8-hexadeuterio-2-[2,3,5,6,7,8-hexadeuterio-4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline;3,4,5,6,7,8-hexadeuterio-2-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline;2-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline (PubChem CID 163694195) has the molecular formula C174H108N8 and a molecular weight of 2355.10 g/mol. Its IUPAC name is 3,4,5,6,7,8-hexadeuterio-2-[2,3,5,6,7,8-hexadeuterio-4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline;3,4,5,6,7,8-hexadeuterio-2-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline;2-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline.

Molecular Properties

• Compound Name: 3,4,5,6,7,8-hexadeuterio-2-[2,3,5,6,7,8-hexadeuterio-4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline;3,4,5,6,7,8-hexadeuterio-2-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline;2-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline
• PubChem CID: 163694195
• Molecular Formula: C174H108N8
• Molecular Weight: 2355.10 g/mol
• Exact Mass: 2353.15
• IUPAC Name: 3,4,5,6,7,8-hexadeuterio-2-[2,3,5,6,7,8-hexadeuterio-4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline;3,4,5,6,7,8-hexadeuterio-2-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline;2-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline
• SMILES: [2H]c1c([2H])c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc(-c4ccc5ccc6cccnc6c5n4)c4ccccc34)c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc3c(c([2H])c2[2H])c([2H])c([2H])c2c([2H])c([2H])c(-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c5ccccc45)nc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c2c(-c3ccc(-c4ccc5ccc6cccnc6c5n4)c4ccccc34)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H].[2H]c1cnc2c(c1[2H])c([2H])c([2H])c1c([2H])c([2H])c(-c3c([2H])c([2H])c(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c4c([2H])c([2H])c([2H])c([2H])c34)nc12
• InChI: InChI=1S/C48H30N2.3C42H26N2/c1-3-13-31(14-4-1)43-29-25-33-23-24-34-26-30-44(50-48(34)47(33)49-43)37-27-28-42(36-18-8-7-17-35(36)37)46-40-21-11-9-19-38(40)45(32-15-5-2-6-16-32)39-20-10-12-22-41(39)46;3*1-2-11-27(12-3-1)39-33-16-6-8-18-35(33)40(36-19-9-7-17-34(36)39)37-24-23-32(30-14-4-5-15-31(30)37)38-25-22-29-21-20-28-13-10-26-43-41(28)42(29)44-38/h1-30H;3*1-26H/i1D,3D,4D,13D,14D,23D,24D,25D,26D,29D,30D;1D,2D,3D,6D,7D,8D,9D,11D,12D,16D,17D,18D,19D;4D,5D,10D,13D,14D,15D,20D,21D,22D,23D,24D,25D;6D,7D,8D,9D,16D,17D,18D,19D
• InChIKey: JVNFOAGGCZIZIO-VEENPYIZSA-N
• XLogP: 46.64
• TPSA: 103.12 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2355.10
LogP ≤ 5	46.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3,4,5,6,7,8-hexadeuterio-2-[2,3,5,6,7,8-hexadeuterio-4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline;3,4,5,6,7,8-hexadeuterio-2-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline;2-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline?

The IUPAC name of 3,4,5,6,7,8-hexadeuterio-2-[2,3,5,6,7,8-hexadeuterio-4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline;3,4,5,6,7,8-hexadeuterio-2-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline;2-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline (CID 163694195) is 3,4,5,6,7,8-hexadeuterio-2-[2,3,5,6,7,8-hexadeuterio-4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline;3,4,5,6,7,8-hexadeuterio-2-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline;2-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline.

What is the SMILES notation for 3,4,5,6,7,8-hexadeuterio-2-[2,3,5,6,7,8-hexadeuterio-4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline;3,4,5,6,7,8-hexadeuterio-2-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline;2-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline?

The canonical SMILES for 3,4,5,6,7,8-hexadeuterio-2-[2,3,5,6,7,8-hexadeuterio-4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline;3,4,5,6,7,8-hexadeuterio-2-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline;2-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline is [2H]c1c([2H])c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc(-c4ccc5ccc6cccnc6c5n4)c4ccccc34)c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc3c(c([2H])c2[2H])c([2H])c([2H])c2c([2H])c([2H])c(-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c5ccccc45)nc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c2c(-c3ccc(-c4ccc5ccc6cccnc6c5n4)c4ccccc34)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H].[2H]c1cnc2c(c1[2H])c([2H])c([2H])c1c([2H])c([2H])c(-c3c([2H])c([2H])c(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c4c([2H])c([2H])c([2H])c([2H])c34)nc12.

What is the InChIKey of 3,4,5,6,7,8-hexadeuterio-2-[2,3,5,6,7,8-hexadeuterio-4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline;3,4,5,6,7,8-hexadeuterio-2-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline;2-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline?

The InChIKey is JVNFOAGGCZIZIO-VEENPYIZSA-N. The full InChI is InChI=1S/C48H30N2.3C42H26N2/c1-3-13-31(14-4-1)43-29-25-33-23-24-34-26-30-44(50-48(34)47(33)49-43)37-27-28-42(36-18-8-7-17-35(36)37)46-40-21-11-9-19-38(40)45(32-15-5-2-6-16-32)39-20-10-12-22-41(39)46;3*1-2-11-27(12-3-1)39-33-16-6-8-18-35(33)40(36-19-9-7-17-34(36)39)37-24-23-32(30-14-4-5-15-31(30)37)38-25-22-29-21-20-28-13-10-26-43-41(28)42(29)44-38/h1-30H;3*1-26H/i1D,3D,4D,13D,14D,23D,24D,25D,26D,29D,30D;1D,2D,3D,6D,7D,8D,9D,11D,12D,16D,17D,18D,19D;4D,5D,10D,13D,14D,15D,20D,21D,22D,23D,24D,25D;6D,7D,8D,9D,16D,17D,18D,19D.

What are the key properties of 3,4,5,6,7,8-hexadeuterio-2-[2,3,5,6,7,8-hexadeuterio-4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline;3,4,5,6,7,8-hexadeuterio-2-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline;2-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline?

3,4,5,6,7,8-hexadeuterio-2-[2,3,5,6,7,8-hexadeuterio-4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline;3,4,5,6,7,8-hexadeuterio-2-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline;2-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline has a molecular weight of 2355.10 g/mol, XLogP of 46.64, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4,5,6,7,8-hexadeuterio-2-[2,3,5,6,7,8-hexadeuterio-4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline;3,4,5,6,7,8-hexadeuterio-2-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline;2-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline is sourced from PubChem (CID 163694195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).