9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracene

C49H38 — CID 59195164

About 9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracene

9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracene (PubChem CID 59195164) has the molecular formula C49H38 and a molecular weight of 626.84 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracene.

Molecular Properties

• Compound Name: 9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracene
• PubChem CID: 59195164
• Molecular Formula: C49H38
• Molecular Weight: 626.84 g/mol
• Exact Mass: 626.30
• IUPAC Name: 9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracene
• SMILES: CC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4cccc5c4CCCC5)c4ccc(-c5ccc6ccccc6c5)cc34)cccc21
• InChI: InChI=1S/C49H38/c1-49(2)44-23-10-9-20-41(44)48-42(22-12-24-45(48)49)47-39-19-8-7-18-38(39)46(37-21-11-16-32-14-5-6-17-36(32)37)40-28-27-35(30-43(40)47)34-26-25-31-13-3-4-15-33(31)29-34/h3-4,7-13,15-16,18-30H,5-6,14,17H2,1-2H3
• InChIKey: IHGDNYBGKZLXOM-UHFFFAOYSA-N
• XLogP: 13.33
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	626.84
LogP ≤ 5	13.33
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-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracene?

The IUPAC name of 9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracene (CID 59195164) is 9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracene.

What is the SMILES notation for 9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracene?

The canonical SMILES for 9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracene is CC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4cccc5c4CCCC5)c4ccc(-c5ccc6ccccc6c5)cc34)cccc21.

What is the InChIKey of 9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracene?

The InChIKey is IHGDNYBGKZLXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H38/c1-49(2)44-23-10-9-20-41(44)48-42(22-12-24-45(48)49)47-39-19-8-7-18-38(39)46(37-21-11-16-32-14-5-6-17-36(32)37)40-28-27-35(30-43(40)47)34-26-25-31-13-3-4-15-33(31)29-34/h3-4,7-13,15-16,18-30H,5-6,14,17H2,1-2H3.

What are the key properties of 9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracene?

9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracene has a molecular weight of 626.84 g/mol, XLogP of 13.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracene is sourced from PubChem (CID 59195164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).