10-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-ylanthracen-9-yl]-9H-acridine

C52H37N — CID 59196394

About 10-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-ylanthracen-9-yl]-9H-acridine

10-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-ylanthracen-9-yl]-9H-acridine (PubChem CID 59196394) has the molecular formula C52H37N and a molecular weight of 675.88 g/mol. Its IUPAC name is 10-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-ylanthracen-9-yl]-9H-acridine.

Molecular Properties

• Compound Name: 10-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-ylanthracen-9-yl]-9H-acridine
• PubChem CID: 59196394
• Molecular Formula: C52H37N
• Molecular Weight: 675.88 g/mol
• Exact Mass: 675.29
• IUPAC Name: 10-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-ylanthracen-9-yl]-9H-acridine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(N4c5ccccc5Cc5ccccc54)c4ccc(-c5ccc6ccccc6c5)cc34)cc21
• InChI: InChI=1S/C52H37N/c1-52(2)46-20-10-9-17-40(46)41-27-26-39(32-47(41)52)50-42-18-7-8-19-43(42)51(53-48-21-11-5-15-37(48)30-38-16-6-12-22-49(38)53)44-28-25-36(31-45(44)50)35-24-23-33-13-3-4-14-34(33)29-35/h3-29,31-32H,30H2,1-2H3
• InChIKey: VOUKXTILJGOMPV-UHFFFAOYSA-N
• XLogP: 14.16
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	675.88
LogP ≤ 5	14.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-ylanthracen-9-yl]-9H-acridine?

The IUPAC name of 10-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-ylanthracen-9-yl]-9H-acridine (CID 59196394) is 10-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-ylanthracen-9-yl]-9H-acridine.

What is the SMILES notation for 10-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-ylanthracen-9-yl]-9H-acridine?

The canonical SMILES for 10-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-ylanthracen-9-yl]-9H-acridine is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(N4c5ccccc5Cc5ccccc54)c4ccc(-c5ccc6ccccc6c5)cc34)cc21.

What is the InChIKey of 10-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-ylanthracen-9-yl]-9H-acridine?

The InChIKey is VOUKXTILJGOMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N/c1-52(2)46-20-10-9-17-40(46)41-27-26-39(32-47(41)52)50-42-18-7-8-19-43(42)51(53-48-21-11-5-15-37(48)30-38-16-6-12-22-49(38)53)44-28-25-36(31-45(44)50)35-24-23-33-13-3-4-14-34(33)29-35/h3-29,31-32H,30H2,1-2H3.

What are the key properties of 10-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-ylanthracen-9-yl]-9H-acridine?

10-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-ylanthracen-9-yl]-9H-acridine has a molecular weight of 675.88 g/mol, XLogP of 14.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-ylanthracen-9-yl]-9H-acridine is sourced from PubChem (CID 59196394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).