10-anthracen-9-yl-9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene

C53H36 — CID 59196658

About 10-anthracen-9-yl-9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene

10-anthracen-9-yl-9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene (PubChem CID 59196658) has the molecular formula C53H36 and a molecular weight of 672.87 g/mol. Its IUPAC name is 10-anthracen-9-yl-9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene.

Molecular Properties

• Compound Name: 10-anthracen-9-yl-9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene
• PubChem CID: 59196658
• Molecular Formula: C53H36
• Molecular Weight: 672.87 g/mol
• Exact Mass: 672.28
• IUPAC Name: 10-anthracen-9-yl-9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4c5ccccc5cc5ccccc45)c4ccc(-c5ccc6ccccc6c5)cc34)cc21
• InChI: InChI=1S/C53H36/c1-53(2)48-22-12-11-19-42(48)43-27-26-39(32-49(43)53)50-44-20-9-10-21-45(44)52(51-40-17-7-5-15-37(40)30-38-16-6-8-18-41(38)51)46-28-25-36(31-47(46)50)35-24-23-33-13-3-4-14-34(33)29-35/h3-32H,1-2H3
• InChIKey: OWGLHHGKQLCAAF-UHFFFAOYSA-N
• XLogP: 14.76
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	672.87
LogP ≤ 5	14.76
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 10-anthracen-9-yl-9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene?

The IUPAC name of 10-anthracen-9-yl-9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene (CID 59196658) is 10-anthracen-9-yl-9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene.

What is the SMILES notation for 10-anthracen-9-yl-9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene?

The canonical SMILES for 10-anthracen-9-yl-9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4c5ccccc5cc5ccccc45)c4ccc(-c5ccc6ccccc6c5)cc34)cc21.

What is the InChIKey of 10-anthracen-9-yl-9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene?

The InChIKey is OWGLHHGKQLCAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36/c1-53(2)48-22-12-11-19-42(48)43-27-26-39(32-49(43)53)50-44-20-9-10-21-45(44)52(51-40-17-7-5-15-37(40)30-38-16-6-8-18-41(38)51)46-28-25-36(31-47(46)50)35-24-23-33-13-3-4-14-34(33)29-35/h3-32H,1-2H3.

What are the key properties of 10-anthracen-9-yl-9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene?

10-anthracen-9-yl-9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene has a molecular weight of 672.87 g/mol, XLogP of 14.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 10-anthracen-9-yl-9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene is sourced from PubChem (CID 59196658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).