9-(3,5-diphenylphenyl)-10-phenylanthracene;9-naphthalen-1-yl-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-phenylanthracene

C104H70 — CID 163814525

About 9-(3,5-diphenylphenyl)-10-phenylanthracene;9-naphthalen-1-yl-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-phenylanthracene

9-(3,5-diphenylphenyl)-10-phenylanthracene;9-naphthalen-1-yl-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-phenylanthracene (PubChem CID 163814525) has the molecular formula C104H70 and a molecular weight of 1324.73 g/mol. Its IUPAC name is 9-(3,5-diphenylphenyl)-10-phenylanthracene;9-naphthalen-1-yl-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-phenylanthracene.

Molecular Properties

• Compound Name: 9-(3,5-diphenylphenyl)-10-phenylanthracene;9-naphthalen-1-yl-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-phenylanthracene
• PubChem CID: 163814525
• Molecular Formula: C104H70
• Molecular Weight: 1324.73 g/mol
• Exact Mass: 1323.58
• IUPAC Name: 9-(3,5-diphenylphenyl)-10-phenylanthracene;9-naphthalen-1-yl-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-phenylanthracene
• SMILES: [2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c([2H])c1[2H].c1ccc(-c2c3ccccc3c(-c3cccc(-c4ccc5ccccc5c4)c3)c3ccccc23)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c2)cc1
• InChI: InChI=1S/C38H26.C36H24.C30H20/c1-4-14-27(15-5-1)30-24-31(28-16-6-2-7-17-28)26-32(25-30)38-35-22-12-10-20-33(35)37(29-18-8-3-9-19-29)34-21-11-13-23-36(34)38;1-2-12-26(13-3-1)35-31-17-6-8-19-33(31)36(34-20-9-7-18-32(34)35)30-16-10-15-28(24-30)29-22-21-25-11-4-5-14-27(25)23-29;1-2-12-22(13-3-1)29-25-16-6-8-18-27(25)30(28-19-9-7-17-26(28)29)24-20-10-14-21-11-4-5-15-23(21)24/h1-26H;1-24H;1-20H/i;;1D,2D,3D,12D,13D
• InChIKey: NQDIRFPAFHSMPB-TZKJCLTKSA-N
• XLogP: 29.29
• TPSA: 0.00 Ų
• Rotatable Bonds: 9
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1324.73
LogP ≤ 5	29.29
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 9-(3,5-diphenylphenyl)-10-phenylanthracene;9-naphthalen-1-yl-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-phenylanthracene?

The IUPAC name of 9-(3,5-diphenylphenyl)-10-phenylanthracene;9-naphthalen-1-yl-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-phenylanthracene (CID 163814525) is 9-(3,5-diphenylphenyl)-10-phenylanthracene;9-naphthalen-1-yl-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-phenylanthracene.

What is the SMILES notation for 9-(3,5-diphenylphenyl)-10-phenylanthracene;9-naphthalen-1-yl-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-phenylanthracene?

The canonical SMILES for 9-(3,5-diphenylphenyl)-10-phenylanthracene;9-naphthalen-1-yl-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-phenylanthracene is [2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c([2H])c1[2H].c1ccc(-c2c3ccccc3c(-c3cccc(-c4ccc5ccccc5c4)c3)c3ccccc23)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c2)cc1.

What is the InChIKey of 9-(3,5-diphenylphenyl)-10-phenylanthracene;9-naphthalen-1-yl-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-phenylanthracene?

The InChIKey is NQDIRFPAFHSMPB-TZKJCLTKSA-N. The full InChI is InChI=1S/C38H26.C36H24.C30H20/c1-4-14-27(15-5-1)30-24-31(28-16-6-2-7-17-28)26-32(25-30)38-35-22-12-10-20-33(35)37(29-18-8-3-9-19-29)34-21-11-13-23-36(34)38;1-2-12-26(13-3-1)35-31-17-6-8-19-33(31)36(34-20-9-7-18-32(34)35)30-16-10-15-28(24-30)29-22-21-25-11-4-5-14-27(25)23-29;1-2-12-22(13-3-1)29-25-16-6-8-18-27(25)30(28-19-9-7-17-26(28)29)24-20-10-14-21-11-4-5-15-23(21)24/h1-26H;1-24H;1-20H/i;;1D,2D,3D,12D,13D.

What are the key properties of 9-(3,5-diphenylphenyl)-10-phenylanthracene;9-naphthalen-1-yl-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-phenylanthracene?

9-(3,5-diphenylphenyl)-10-phenylanthracene;9-naphthalen-1-yl-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-phenylanthracene has a molecular weight of 1324.73 g/mol, XLogP of 29.29, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(3,5-diphenylphenyl)-10-phenylanthracene;9-naphthalen-1-yl-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-phenylanthracene is sourced from PubChem (CID 163814525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).