2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,10-diphenylanthracene;2-naphthalen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenylanthracene;2-(3-naphthalen-1-ylphenyl)-9,10-diphenylanthracene;2-(3-naphthalen-2-ylphenyl)-9,10-diphenylanthracene;2-(4-naphthalen-2-ylphenyl)-9,10-diphenylanthracene

C198H132 — CID 163429802

About 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,10-diphenylanthracene;2-naphthalen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenylanthracene;2-(3-naphthalen-1-ylphenyl)-9,10-diphenylanthracene;2-(3-naphthalen-2-ylphenyl)-9,10-diphenylanthracene;2-(4-naphthalen-2-ylphenyl)-9,10-diphenylanthracene

2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,10-diphenylanthracene;2-naphthalen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenylanthracene;2-(3-naphthalen-1-ylphenyl)-9,10-diphenylanthracene;2-(3-naphthalen-2-ylphenyl)-9,10-diphenylanthracene;2-(4-naphthalen-2-ylphenyl)-9,10-diphenylanthracene (PubChem CID 163429802) has the molecular formula C198H132 and a molecular weight of 2523.31 g/mol. Its IUPAC name is 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,10-diphenylanthracene;2-naphthalen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenylanthracene;2-(3-naphthalen-1-ylphenyl)-9,10-diphenylanthracene;2-(3-naphthalen-2-ylphenyl)-9,10-diphenylanthracene;2-(4-naphthalen-2-ylphenyl)-9,10-diphenylanthracene.

Molecular Properties

• Compound Name: 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,10-diphenylanthracene;2-naphthalen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenylanthracene;2-(3-naphthalen-1-ylphenyl)-9,10-diphenylanthracene;2-(3-naphthalen-2-ylphenyl)-9,10-diphenylanthracene;2-(4-naphthalen-2-ylphenyl)-9,10-diphenylanthracene
• PubChem CID: 163429802
• Molecular Formula: C198H132
• Molecular Weight: 2523.31 g/mol
• Exact Mass: 2521.11
• IUPAC Name: 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,10-diphenylanthracene;2-naphthalen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenylanthracene;2-(3-naphthalen-1-ylphenyl)-9,10-diphenylanthracene;2-(3-naphthalen-2-ylphenyl)-9,10-diphenylanthracene;2-(4-naphthalen-2-ylphenyl)-9,10-diphenylanthracene
• SMILES: [2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3ccccc3)c3ccc(-c4cccc5ccccc45)cc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c2c(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)c([2H])c([2H])c([2H])c2c1[2H].c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc(-c5ccc6ccccc6c5)cc4)ccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc(-c5ccc6ccccc6c5)c4)ccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc(-c5cccc6ccccc56)c4)ccc23)cc1
• InChI: InChI=1S/3C42H28.2C36H24/c1-3-14-30(15-4-1)41-37-22-9-10-23-38(37)42(31-16-5-2-6-17-31)40-28-33(25-26-39(40)41)32-19-11-20-34(27-32)36-24-12-18-29-13-7-8-21-35(29)36;1-3-13-30(14-4-1)41-37-20-9-10-21-38(37)42(31-15-5-2-6-16-31)40-28-36(24-25-39(40)41)34-19-11-18-33(27-34)35-23-22-29-12-7-8-17-32(29)26-35;1-3-12-32(13-4-1)41-37-17-9-10-18-38(37)42(33-14-5-2-6-15-33)40-28-36(25-26-39(40)41)31-21-19-30(20-22-31)35-24-23-29-11-7-8-16-34(29)27-35;2*1-3-13-26(14-4-1)35-31-19-9-10-20-32(31)36(27-15-5-2-6-16-27)34-24-28(22-23-33(34)35)30-21-11-17-25-12-7-8-18-29(25)30/h3*1-28H;2*1-24H/i;;;7D,8D,11D,12D,17D,18D,21D;2D,5D,6D,15D,16D
• InChIKey: APNAHGYVZSSWGR-WXVRLUCBSA-N
• XLogP: 55.74
• TPSA: 0.00 Ų
• Rotatable Bonds: 18
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2523.31
LogP ≤ 5	55.74
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 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,10-diphenylanthracene;2-naphthalen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenylanthracene;2-(3-naphthalen-1-ylphenyl)-9,10-diphenylanthracene;2-(3-naphthalen-2-ylphenyl)-9,10-diphenylanthracene;2-(4-naphthalen-2-ylphenyl)-9,10-diphenylanthracene?

The IUPAC name of 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,10-diphenylanthracene;2-naphthalen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenylanthracene;2-(3-naphthalen-1-ylphenyl)-9,10-diphenylanthracene;2-(3-naphthalen-2-ylphenyl)-9,10-diphenylanthracene;2-(4-naphthalen-2-ylphenyl)-9,10-diphenylanthracene (CID 163429802) is 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,10-diphenylanthracene;2-naphthalen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenylanthracene;2-(3-naphthalen-1-ylphenyl)-9,10-diphenylanthracene;2-(3-naphthalen-2-ylphenyl)-9,10-diphenylanthracene;2-(4-naphthalen-2-ylphenyl)-9,10-diphenylanthracene.

What is the SMILES notation for 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,10-diphenylanthracene;2-naphthalen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenylanthracene;2-(3-naphthalen-1-ylphenyl)-9,10-diphenylanthracene;2-(3-naphthalen-2-ylphenyl)-9,10-diphenylanthracene;2-(4-naphthalen-2-ylphenyl)-9,10-diphenylanthracene?

The canonical SMILES for 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,10-diphenylanthracene;2-naphthalen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenylanthracene;2-(3-naphthalen-1-ylphenyl)-9,10-diphenylanthracene;2-(3-naphthalen-2-ylphenyl)-9,10-diphenylanthracene;2-(4-naphthalen-2-ylphenyl)-9,10-diphenylanthracene is [2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3ccccc3)c3ccc(-c4cccc5ccccc45)cc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c2c(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)c([2H])c([2H])c([2H])c2c1[2H].c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc(-c5ccc6ccccc6c5)cc4)ccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc(-c5ccc6ccccc6c5)c4)ccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc(-c5cccc6ccccc56)c4)ccc23)cc1.

What is the InChIKey of 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,10-diphenylanthracene;2-naphthalen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenylanthracene;2-(3-naphthalen-1-ylphenyl)-9,10-diphenylanthracene;2-(3-naphthalen-2-ylphenyl)-9,10-diphenylanthracene;2-(4-naphthalen-2-ylphenyl)-9,10-diphenylanthracene?

The InChIKey is APNAHGYVZSSWGR-WXVRLUCBSA-N. The full InChI is InChI=1S/3C42H28.2C36H24/c1-3-14-30(15-4-1)41-37-22-9-10-23-38(37)42(31-16-5-2-6-17-31)40-28-33(25-26-39(40)41)32-19-11-20-34(27-32)36-24-12-18-29-13-7-8-21-35(29)36;1-3-13-30(14-4-1)41-37-20-9-10-21-38(37)42(31-15-5-2-6-16-31)40-28-36(24-25-39(40)41)34-19-11-18-33(27-34)35-23-22-29-12-7-8-17-32(29)26-35;1-3-12-32(13-4-1)41-37-17-9-10-18-38(37)42(33-14-5-2-6-15-33)40-28-36(25-26-39(40)41)31-21-19-30(20-22-31)35-24-23-29-11-7-8-16-34(29)27-35;2*1-3-13-26(14-4-1)35-31-19-9-10-20-32(31)36(27-15-5-2-6-16-27)34-24-28(22-23-33(34)35)30-21-11-17-25-12-7-8-18-29(25)30/h3*1-28H;2*1-24H/i;;;7D,8D,11D,12D,17D,18D,21D;2D,5D,6D,15D,16D.

What are the key properties of 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,10-diphenylanthracene;2-naphthalen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenylanthracene;2-(3-naphthalen-1-ylphenyl)-9,10-diphenylanthracene;2-(3-naphthalen-2-ylphenyl)-9,10-diphenylanthracene;2-(4-naphthalen-2-ylphenyl)-9,10-diphenylanthracene?

2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,10-diphenylanthracene;2-naphthalen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenylanthracene;2-(3-naphthalen-1-ylphenyl)-9,10-diphenylanthracene;2-(3-naphthalen-2-ylphenyl)-9,10-diphenylanthracene;2-(4-naphthalen-2-ylphenyl)-9,10-diphenylanthracene has a molecular weight of 2523.31 g/mol, XLogP of 55.74, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,10-diphenylanthracene;2-naphthalen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenylanthracene;2-(3-naphthalen-1-ylphenyl)-9,10-diphenylanthracene;2-(3-naphthalen-2-ylphenyl)-9,10-diphenylanthracene;2-(4-naphthalen-2-ylphenyl)-9,10-diphenylanthracene is sourced from PubChem (CID 163429802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).