9-(8-naphthalen-1-yl-8a,9-dihydro-4bH-fluoren-3-yl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-10-phenylanthracene;9-(2,3,4,5,6-pentadeuteriophenyl)-10-(4-phenylnaphthalen-1-yl)anthracene

C115H78 — CID 167575385

About 9-(8-naphthalen-1-yl-8a,9-dihydro-4bH-fluoren-3-yl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-10-phenylanthracene;9-(2,3,4,5,6-pentadeuteriophenyl)-10-(4-phenylnaphthalen-1-yl)anthracene

9-(8-naphthalen-1-yl-8a,9-dihydro-4bH-fluoren-3-yl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-10-phenylanthracene;9-(2,3,4,5,6-pentadeuteriophenyl)-10-(4-phenylnaphthalen-1-yl)anthracene (PubChem CID 167575385) has the molecular formula C115H78 and a molecular weight of 1474.98 g/mol. Its IUPAC name is 9-(8-naphthalen-1-yl-8a,9-dihydro-4bH-fluoren-3-yl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-10-phenylanthracene;9-(2,3,4,5,6-pentadeuteriophenyl)-10-(4-phenylnaphthalen-1-yl)anthracene.

Molecular Properties

• Compound Name: 9-(8-naphthalen-1-yl-8a,9-dihydro-4bH-fluoren-3-yl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-10-phenylanthracene;9-(2,3,4,5,6-pentadeuteriophenyl)-10-(4-phenylnaphthalen-1-yl)anthracene
• PubChem CID: 167575385
• Molecular Formula: C115H78
• Molecular Weight: 1474.98 g/mol
• Exact Mass: 1473.70
• IUPAC Name: 9-(8-naphthalen-1-yl-8a,9-dihydro-4bH-fluoren-3-yl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-10-phenylanthracene;9-(2,3,4,5,6-pentadeuteriophenyl)-10-(4-phenylnaphthalen-1-yl)anthracene
• SMILES: [2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3ccc(-c4ccccc4)c4ccccc34)c3ccccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3ccc4c(c3)C3C=CC=C(c5cccc6ccccc56)C3C4)c3ccccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3ccccc23)c([2H])c1[2H]
• InChI: InChI=1S/C43H30.2C36H24/c1-2-13-29(14-3-1)42-36-17-6-8-19-38(36)43(39-20-9-7-18-37(39)42)31-25-24-30-26-41-34(22-11-23-35(41)40(30)27-31)33-21-10-15-28-12-4-5-16-32(28)33;2*1-3-13-25(14-4-1)27-23-24-34(29-18-8-7-17-28(27)29)36-32-21-11-9-19-30(32)35(26-15-5-2-6-16-26)31-20-10-12-22-33(31)36/h1-25,27,35,41H,26H2;2*1-24H/i1D,2D,3D,13D,14D;2D,5D,6D,15D,16D;1D,3D,4D,13D,14D
• InChIKey: GLLZDRMDRHDEPO-RAQQSOFXSA-N
• XLogP: 31.68
• TPSA: 0.00 Ų
• Rotatable Bonds: 9
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1474.98
LogP ≤ 5	31.68
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-(8-naphthalen-1-yl-8a,9-dihydro-4bH-fluoren-3-yl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-10-phenylanthracene;9-(2,3,4,5,6-pentadeuteriophenyl)-10-(4-phenylnaphthalen-1-yl)anthracene?

The IUPAC name of 9-(8-naphthalen-1-yl-8a,9-dihydro-4bH-fluoren-3-yl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-10-phenylanthracene;9-(2,3,4,5,6-pentadeuteriophenyl)-10-(4-phenylnaphthalen-1-yl)anthracene (CID 167575385) is 9-(8-naphthalen-1-yl-8a,9-dihydro-4bH-fluoren-3-yl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-10-phenylanthracene;9-(2,3,4,5,6-pentadeuteriophenyl)-10-(4-phenylnaphthalen-1-yl)anthracene.

What is the SMILES notation for 9-(8-naphthalen-1-yl-8a,9-dihydro-4bH-fluoren-3-yl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-10-phenylanthracene;9-(2,3,4,5,6-pentadeuteriophenyl)-10-(4-phenylnaphthalen-1-yl)anthracene?

The canonical SMILES for 9-(8-naphthalen-1-yl-8a,9-dihydro-4bH-fluoren-3-yl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-10-phenylanthracene;9-(2,3,4,5,6-pentadeuteriophenyl)-10-(4-phenylnaphthalen-1-yl)anthracene is [2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3ccc(-c4ccccc4)c4ccccc34)c3ccccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3ccc4c(c3)C3C=CC=C(c5cccc6ccccc56)C3C4)c3ccccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3ccccc23)c([2H])c1[2H].

What is the InChIKey of 9-(8-naphthalen-1-yl-8a,9-dihydro-4bH-fluoren-3-yl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-10-phenylanthracene;9-(2,3,4,5,6-pentadeuteriophenyl)-10-(4-phenylnaphthalen-1-yl)anthracene?

The InChIKey is GLLZDRMDRHDEPO-RAQQSOFXSA-N. The full InChI is InChI=1S/C43H30.2C36H24/c1-2-13-29(14-3-1)42-36-17-6-8-19-38(36)43(39-20-9-7-18-37(39)42)31-25-24-30-26-41-34(22-11-23-35(41)40(30)27-31)33-21-10-15-28-12-4-5-16-32(28)33;2*1-3-13-25(14-4-1)27-23-24-34(29-18-8-7-17-28(27)29)36-32-21-11-9-19-30(32)35(26-15-5-2-6-16-26)31-20-10-12-22-33(31)36/h1-25,27,35,41H,26H2;2*1-24H/i1D,2D,3D,13D,14D;2D,5D,6D,15D,16D;1D,3D,4D,13D,14D.

What are the key properties of 9-(8-naphthalen-1-yl-8a,9-dihydro-4bH-fluoren-3-yl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-10-phenylanthracene;9-(2,3,4,5,6-pentadeuteriophenyl)-10-(4-phenylnaphthalen-1-yl)anthracene?

9-(8-naphthalen-1-yl-8a,9-dihydro-4bH-fluoren-3-yl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-10-phenylanthracene;9-(2,3,4,5,6-pentadeuteriophenyl)-10-(4-phenylnaphthalen-1-yl)anthracene has a molecular weight of 1474.98 g/mol, XLogP of 31.68, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(8-naphthalen-1-yl-8a,9-dihydro-4bH-fluoren-3-yl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-10-phenylanthracene;9-(2,3,4,5,6-pentadeuteriophenyl)-10-(4-phenylnaphthalen-1-yl)anthracene is sourced from PubChem (CID 167575385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).