1,2,3,4,5,6,8-heptadeuterio-7,9-dinaphthalen-2-yl-10-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-dinaphthalen-2-yl-9-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-10-naphthalen-2-yl-9-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene

C166H108 — CID 158761023

About 1,2,3,4,5,6,8-heptadeuterio-7,9-dinaphthalen-2-yl-10-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-dinaphthalen-2-yl-9-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-10-naphthalen-2-yl-9-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene

1,2,3,4,5,6,8-heptadeuterio-7,9-dinaphthalen-2-yl-10-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-dinaphthalen-2-yl-9-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-10-naphthalen-2-yl-9-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene (PubChem CID 158761023) has the molecular formula C166H108 and a molecular weight of 2130.86 g/mol. Its IUPAC name is 1,2,3,4,5,6,8-heptadeuterio-7,9-dinaphthalen-2-yl-10-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-dinaphthalen-2-yl-9-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-10-naphthalen-2-yl-9-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene.

Molecular Properties

• Compound Name: 1,2,3,4,5,6,8-heptadeuterio-7,9-dinaphthalen-2-yl-10-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-dinaphthalen-2-yl-9-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-10-naphthalen-2-yl-9-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene
• PubChem CID: 158761023
• Molecular Formula: C166H108
• Molecular Weight: 2130.86 g/mol
• Exact Mass: 2129.02
• IUPAC Name: 1,2,3,4,5,6,8-heptadeuterio-7,9-dinaphthalen-2-yl-10-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-dinaphthalen-2-yl-9-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-10-naphthalen-2-yl-9-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene
• SMILES: [2H]c1c([2H])c([2H])c2c(-c3ccc(-c4ccccc4)cc3)c3c([2H])c(-c4cccc5ccccc45)c([2H])c([2H])c3c(-c3ccc4ccccc4c3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3ccc4ccccc4c3)c3c([2H])c(-c4ccc5ccccc5c4)c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3ccccc3)c3c([2H])c(-c4ccc5ccccc5c4)c([2H])c([2H])c3c(-c3ccc4ccccc4c3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3ccccc3)c3c([2H])c(-c4cccc5ccccc45)c([2H])c([2H])c3c(-c3ccc4ccccc4c3)c2c1[2H]
• InChI: InChI=1S/C46H30.3C40H26/c1-2-11-31(12-3-1)33-21-24-35(25-22-33)45-41-18-8-9-19-42(41)46(38-26-23-32-13-4-5-15-36(32)29-38)43-28-27-37(30-44(43)45)40-20-10-16-34-14-6-7-17-39(34)40;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)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/h1-30H;3*1-26H/i8D,9D,18D,19D,27D,28D,30D;2*8D,9D,16D,17D,22D,23D,26D;8D,9D,18D,19D,23D,24D,26D
• InChIKey: IORALZVDEHDYKS-XANYOWJDSA-N
• XLogP: 46.87
• TPSA: 0.00 Ų
• Rotatable Bonds: 13
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2130.86
LogP ≤ 5	46.87
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 1,2,3,4,5,6,8-heptadeuterio-7,9-dinaphthalen-2-yl-10-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-dinaphthalen-2-yl-9-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-10-naphthalen-2-yl-9-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene?

The IUPAC name of 1,2,3,4,5,6,8-heptadeuterio-7,9-dinaphthalen-2-yl-10-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-dinaphthalen-2-yl-9-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-10-naphthalen-2-yl-9-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene (CID 158761023) is 1,2,3,4,5,6,8-heptadeuterio-7,9-dinaphthalen-2-yl-10-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-dinaphthalen-2-yl-9-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-10-naphthalen-2-yl-9-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene.

What is the SMILES notation for 1,2,3,4,5,6,8-heptadeuterio-7,9-dinaphthalen-2-yl-10-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-dinaphthalen-2-yl-9-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-10-naphthalen-2-yl-9-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene?

The canonical SMILES for 1,2,3,4,5,6,8-heptadeuterio-7,9-dinaphthalen-2-yl-10-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-dinaphthalen-2-yl-9-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-10-naphthalen-2-yl-9-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene is [2H]c1c([2H])c([2H])c2c(-c3ccc(-c4ccccc4)cc3)c3c([2H])c(-c4cccc5ccccc45)c([2H])c([2H])c3c(-c3ccc4ccccc4c3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3ccc4ccccc4c3)c3c([2H])c(-c4ccc5ccccc5c4)c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3ccccc3)c3c([2H])c(-c4ccc5ccccc5c4)c([2H])c([2H])c3c(-c3ccc4ccccc4c3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3ccccc3)c3c([2H])c(-c4cccc5ccccc45)c([2H])c([2H])c3c(-c3ccc4ccccc4c3)c2c1[2H].

What is the InChIKey of 1,2,3,4,5,6,8-heptadeuterio-7,9-dinaphthalen-2-yl-10-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-dinaphthalen-2-yl-9-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-10-naphthalen-2-yl-9-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene?

The InChIKey is IORALZVDEHDYKS-XANYOWJDSA-N. The full InChI is InChI=1S/C46H30.3C40H26/c1-2-11-31(12-3-1)33-21-24-35(25-22-33)45-41-18-8-9-19-42(41)46(38-26-23-32-13-4-5-15-36(32)29-38)43-28-27-37(30-44(43)45)40-20-10-16-34-14-6-7-17-39(34)40;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)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/h1-30H;3*1-26H/i8D,9D,18D,19D,27D,28D,30D;2*8D,9D,16D,17D,22D,23D,26D;8D,9D,18D,19D,23D,24D,26D.

What are the key properties of 1,2,3,4,5,6,8-heptadeuterio-7,9-dinaphthalen-2-yl-10-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-dinaphthalen-2-yl-9-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-10-naphthalen-2-yl-9-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene?

1,2,3,4,5,6,8-heptadeuterio-7,9-dinaphthalen-2-yl-10-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-dinaphthalen-2-yl-9-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-10-naphthalen-2-yl-9-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene has a molecular weight of 2130.86 g/mol, XLogP of 46.87, 13 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-dinaphthalen-2-yl-10-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-dinaphthalen-2-yl-9-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-10-naphthalen-2-yl-9-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene is sourced from PubChem (CID 158761023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).