9-(9-methyl-9H-fluoren-2-yl)-10-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]anthracene

C54H36 — CID 123405622

About 9-(9-methyl-9H-fluoren-2-yl)-10-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]anthracene

9-(9-methyl-9H-fluoren-2-yl)-10-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]anthracene (PubChem CID 123405622) has the molecular formula C54H36 and a molecular weight of 684.88 g/mol. Its IUPAC name is 9-(9-methyl-9H-fluoren-2-yl)-10-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]anthracene.

Molecular Properties

• Compound Name: 9-(9-methyl-9H-fluoren-2-yl)-10-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]anthracene
• PubChem CID: 123405622
• Molecular Formula: C54H36
• Molecular Weight: 684.88 g/mol
• Exact Mass: 684.28
• IUPAC Name: 9-(9-methyl-9H-fluoren-2-yl)-10-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]anthracene
• SMILES: CC1c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cc(-c5ccc(-c6ccc7ccccc7c6)cc5)cc5ccccc45)c4ccccc34)cc21
• InChI: InChI=1S/C54H36/c1-34-43-15-6-7-17-45(43)46-29-28-41(32-51(34)46)53-47-18-8-10-20-49(47)54(50-21-11-9-19-48(50)53)52-33-42(31-40-14-4-5-16-44(40)52)37-24-22-36(23-25-37)39-27-26-35-12-2-3-13-38(35)30-39/h2-34H,1H3
• InChIKey: GSDBPDPWGMUBDL-UHFFFAOYSA-N
• XLogP: 15.10
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	684.88
LogP ≤ 5	15.10
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-(9-methyl-9H-fluoren-2-yl)-10-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]anthracene?

The IUPAC name of 9-(9-methyl-9H-fluoren-2-yl)-10-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]anthracene (CID 123405622) is 9-(9-methyl-9H-fluoren-2-yl)-10-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]anthracene.

What is the SMILES notation for 9-(9-methyl-9H-fluoren-2-yl)-10-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]anthracene?

The canonical SMILES for 9-(9-methyl-9H-fluoren-2-yl)-10-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]anthracene is CC1c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cc(-c5ccc(-c6ccc7ccccc7c6)cc5)cc5ccccc45)c4ccccc34)cc21.

What is the InChIKey of 9-(9-methyl-9H-fluoren-2-yl)-10-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]anthracene?

The InChIKey is GSDBPDPWGMUBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36/c1-34-43-15-6-7-17-45(43)46-29-28-41(32-51(34)46)53-47-18-8-10-20-49(47)54(50-21-11-9-19-48(50)53)52-33-42(31-40-14-4-5-16-44(40)52)37-24-22-36(23-25-37)39-27-26-35-12-2-3-13-38(35)30-39/h2-34H,1H3.

What are the key properties of 9-(9-methyl-9H-fluoren-2-yl)-10-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]anthracene?

9-(9-methyl-9H-fluoren-2-yl)-10-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]anthracene has a molecular weight of 684.88 g/mol, XLogP of 15.10, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(9-methyl-9H-fluoren-2-yl)-10-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]anthracene is sourced from PubChem (CID 123405622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).