9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene

C55H38 — CID 59196012

About 9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene

9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene (PubChem CID 59196012) has the molecular formula C55H38 and a molecular weight of 698.91 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene.

Molecular Properties

• Compound Name: 9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene
• PubChem CID: 59196012
• Molecular Formula: C55H38
• Molecular Weight: 698.91 g/mol
• Exact Mass: 698.30
• IUPAC Name: 9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene
• SMILES: CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4cccc(-c5cccc6ccccc56)c4)c4ccc(-c5ccc6ccccc6c5)cc34)ccc21
• InChI: InChI=1S/C55H38/c1-55(2)51-24-10-9-20-45(51)49-34-42(28-30-52(49)55)54-47-22-8-7-21-46(47)53(41-18-11-17-40(32-41)44-23-12-16-36-14-5-6-19-43(36)44)48-29-27-39(33-50(48)54)38-26-25-35-13-3-4-15-37(35)31-38/h3-34H,1-2H3
• InChIKey: YCBSOTHBOXCSLC-UHFFFAOYSA-N
• XLogP: 15.27
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	698.91
LogP ≤ 5	15.27
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-3-yl)-2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene?

The IUPAC name of 9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene (CID 59196012) is 9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene.

What is the SMILES notation for 9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene?

The canonical SMILES for 9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene is CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4cccc(-c5cccc6ccccc56)c4)c4ccc(-c5ccc6ccccc6c5)cc34)ccc21.

What is the InChIKey of 9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene?

The InChIKey is YCBSOTHBOXCSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38/c1-55(2)51-24-10-9-20-45(51)49-34-42(28-30-52(49)55)54-47-22-8-7-21-46(47)53(41-18-11-17-40(32-41)44-23-12-16-36-14-5-6-19-43(36)44)48-29-27-39(33-50(48)54)38-26-25-35-13-3-4-15-37(35)31-38/h3-34H,1-2H3.

What are the key properties of 9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene?

9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene has a molecular weight of 698.91 g/mol, XLogP of 15.27, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene is sourced from PubChem (CID 59196012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).