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

C144H90 — CID 159599643

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

1,2,4,5,7,8,9,10-octadeuterio-3-(3-naphthalen-1-ylphenyl)-6-(4-naphthalen-1-ylphenyl)pyrene;1,2,4,5,7,8,9,10-octadeuterio-3-(3-naphthalen-1-ylphenyl)-6-[2,3,5,6-tetradeuterio-4-(3,4,5,6,7,8-hexadeuterionaphthalen-1-yl)phenyl]pyrene;1,2,4,5,7,8,9,10-octadeuterio-3-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]pyrene (PubChem CID 159599643) has the molecular formula C144H90 and a molecular weight of 1876.65 g/mol. Its IUPAC name is 1,2,4,5,7,8,9,10-octadeuterio-3-(3-naphthalen-1-ylphenyl)-6-(4-naphthalen-1-ylphenyl)pyrene;1,2,4,5,7,8,9,10-octadeuterio-3-(3-naphthalen-1-ylphenyl)-6-[2,3,5,6-tetradeuterio-4-(3,4,5,6,7,8-hexadeuterionaphthalen-1-yl)phenyl]pyrene;1,2,4,5,7,8,9,10-octadeuterio-3-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]pyrene.

Molecular Properties

• Compound Name: 1,2,4,5,7,8,9,10-octadeuterio-3-(3-naphthalen-1-ylphenyl)-6-(4-naphthalen-1-ylphenyl)pyrene;1,2,4,5,7,8,9,10-octadeuterio-3-(3-naphthalen-1-ylphenyl)-6-[2,3,5,6-tetradeuterio-4-(3,4,5,6,7,8-hexadeuterionaphthalen-1-yl)phenyl]pyrene;1,2,4,5,7,8,9,10-octadeuterio-3-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]pyrene
• PubChem CID: 159599643
• Molecular Formula: C144H90
• Molecular Weight: 1876.65 g/mol
• Exact Mass: 1875.06
• IUPAC Name: 1,2,4,5,7,8,9,10-octadeuterio-3-(3-naphthalen-1-ylphenyl)-6-(4-naphthalen-1-ylphenyl)pyrene;1,2,4,5,7,8,9,10-octadeuterio-3-(3-naphthalen-1-ylphenyl)-6-[2,3,5,6-tetradeuterio-4-(3,4,5,6,7,8-hexadeuterionaphthalen-1-yl)phenyl]pyrene;1,2,4,5,7,8,9,10-octadeuterio-3-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]pyrene
• SMILES: [2H]c1c([2H])c(-c2c([2H])c([2H])c([2H])c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c(-c2c([2H])c([2H])c3c([2H])c([2H])c4c([2H])c([2H])c(-c5c([2H])c([2H])c(-c6c([2H])c([2H])c([2H])c7c([2H])c([2H])c([2H])c([2H])c67)c([2H])c5[2H])c5c([2H])c([2H])c2c3c45)c1[2H].[2H]c1c([2H])c2c([2H])c([2H])c3c([2H])c([2H])c(-c4cccc(-c5cccc6ccccc56)c4)c4c([2H])c([2H])c(c1-c1ccc(-c5cccc6ccccc56)cc1)c2c34.[2H]c1cc(-c2c([2H])c([2H])c(-c3c([2H])c([2H])c4c([2H])c([2H])c5c([2H])c([2H])c(-c6cccc(-c7cccc8ccccc78)c6)c6c([2H])c([2H])c3c4c56)c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2c1[2H]
• InChI: InChI=1S/3C48H30/c3*1-3-14-39-31(8-1)10-6-16-41(39)33-18-20-34(21-19-33)43-26-24-35-22-23-36-25-27-44(46-29-28-45(43)47(35)48(36)46)38-13-5-12-37(30-38)42-17-7-11-32-9-2-4-15-40(32)42/h3*1-30H/i1D,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,27D,28D,29D,30D;1D,3D,6D,8D,10D,14D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D;22D,23D,24D,25D,26D,27D,28D,29D
• InChIKey: MLHOCVSHSPJCMC-OZYMKJQQSA-N
• XLogP: 40.68
• TPSA: 0.00 Ų
• Rotatable Bonds: 12
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1876.65
LogP ≤ 5	40.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5,7,8,9,10-octadeuterio-3-(3-naphthalen-1-ylphenyl)-6-(4-naphthalen-1-ylphenyl)pyrene;1,2,4,5,7,8,9,10-octadeuterio-3-(3-naphthalen-1-ylphenyl)-6-[2,3,5,6-tetradeuterio-4-(3,4,5,6,7,8-hexadeuterionaphthalen-1-yl)phenyl]pyrene;1,2,4,5,7,8,9,10-octadeuterio-3-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]pyrene?

The IUPAC name of 1,2,4,5,7,8,9,10-octadeuterio-3-(3-naphthalen-1-ylphenyl)-6-(4-naphthalen-1-ylphenyl)pyrene;1,2,4,5,7,8,9,10-octadeuterio-3-(3-naphthalen-1-ylphenyl)-6-[2,3,5,6-tetradeuterio-4-(3,4,5,6,7,8-hexadeuterionaphthalen-1-yl)phenyl]pyrene;1,2,4,5,7,8,9,10-octadeuterio-3-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]pyrene (CID 159599643) is 1,2,4,5,7,8,9,10-octadeuterio-3-(3-naphthalen-1-ylphenyl)-6-(4-naphthalen-1-ylphenyl)pyrene;1,2,4,5,7,8,9,10-octadeuterio-3-(3-naphthalen-1-ylphenyl)-6-[2,3,5,6-tetradeuterio-4-(3,4,5,6,7,8-hexadeuterionaphthalen-1-yl)phenyl]pyrene;1,2,4,5,7,8,9,10-octadeuterio-3-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]pyrene.

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

The canonical SMILES for 1,2,4,5,7,8,9,10-octadeuterio-3-(3-naphthalen-1-ylphenyl)-6-(4-naphthalen-1-ylphenyl)pyrene;1,2,4,5,7,8,9,10-octadeuterio-3-(3-naphthalen-1-ylphenyl)-6-[2,3,5,6-tetradeuterio-4-(3,4,5,6,7,8-hexadeuterionaphthalen-1-yl)phenyl]pyrene;1,2,4,5,7,8,9,10-octadeuterio-3-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]pyrene is [2H]c1c([2H])c(-c2c([2H])c([2H])c([2H])c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c(-c2c([2H])c([2H])c3c([2H])c([2H])c4c([2H])c([2H])c(-c5c([2H])c([2H])c(-c6c([2H])c([2H])c([2H])c7c([2H])c([2H])c([2H])c([2H])c67)c([2H])c5[2H])c5c([2H])c([2H])c2c3c45)c1[2H].[2H]c1c([2H])c2c([2H])c([2H])c3c([2H])c([2H])c(-c4cccc(-c5cccc6ccccc56)c4)c4c([2H])c([2H])c(c1-c1ccc(-c5cccc6ccccc56)cc1)c2c34.[2H]c1cc(-c2c([2H])c([2H])c(-c3c([2H])c([2H])c4c([2H])c([2H])c5c([2H])c([2H])c(-c6cccc(-c7cccc8ccccc78)c6)c6c([2H])c([2H])c3c4c56)c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2c1[2H].

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

The InChIKey is MLHOCVSHSPJCMC-OZYMKJQQSA-N. The full InChI is InChI=1S/3C48H30/c3*1-3-14-39-31(8-1)10-6-16-41(39)33-18-20-34(21-19-33)43-26-24-35-22-23-36-25-27-44(46-29-28-45(43)47(35)48(36)46)38-13-5-12-37(30-38)42-17-7-11-32-9-2-4-15-40(32)42/h3*1-30H/i1D,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,27D,28D,29D,30D;1D,3D,6D,8D,10D,14D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D;22D,23D,24D,25D,26D,27D,28D,29D.

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

1,2,4,5,7,8,9,10-octadeuterio-3-(3-naphthalen-1-ylphenyl)-6-(4-naphthalen-1-ylphenyl)pyrene;1,2,4,5,7,8,9,10-octadeuterio-3-(3-naphthalen-1-ylphenyl)-6-[2,3,5,6-tetradeuterio-4-(3,4,5,6,7,8-hexadeuterionaphthalen-1-yl)phenyl]pyrene;1,2,4,5,7,8,9,10-octadeuterio-3-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]pyrene has a molecular weight of 1876.65 g/mol, XLogP of 40.68, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,4,5,7,8,9,10-octadeuterio-3-(3-naphthalen-1-ylphenyl)-6-(4-naphthalen-1-ylphenyl)pyrene;1,2,4,5,7,8,9,10-octadeuterio-3-(3-naphthalen-1-ylphenyl)-6-[2,3,5,6-tetradeuterio-4-(3,4,5,6,7,8-hexadeuterionaphthalen-1-yl)phenyl]pyrene;1,2,4,5,7,8,9,10-octadeuterio-3-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]pyrene is sourced from PubChem (CID 159599643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).