2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]pyrazine

C43H30N2 — CID 59196063

About 2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]pyrazine

2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]pyrazine (PubChem CID 59196063) has the molecular formula C43H30N2 and a molecular weight of 574.73 g/mol. Its IUPAC name is 2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]pyrazine.

Molecular Properties

• Compound Name: 2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]pyrazine
• PubChem CID: 59196063
• Molecular Formula: C43H30N2
• Molecular Weight: 574.73 g/mol
• Exact Mass: 574.24
• IUPAC Name: 2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]pyrazine
• SMILES: CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4cnccn4)c4ccc(-c5cccc6ccccc56)cc34)ccc21
• InChI: InChI=1S/C43H30N2/c1-43(2)38-17-8-7-13-32(38)36-25-29(19-21-39(36)43)41-33-14-5-6-15-34(33)42(40-26-44-22-23-45-40)35-20-18-28(24-37(35)41)31-16-9-11-27-10-3-4-12-30(27)31/h3-26H,1-2H3
• InChIKey: LBDVFGKWKCZDBK-UHFFFAOYSA-N
• XLogP: 11.24
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.73
LogP ≤ 5	11.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]pyrazine?

The IUPAC name of 2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]pyrazine (CID 59196063) is 2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]pyrazine.

What is the SMILES notation for 2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]pyrazine?

The canonical SMILES for 2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]pyrazine is CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4cnccn4)c4ccc(-c5cccc6ccccc56)cc34)ccc21.

What is the InChIKey of 2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]pyrazine?

The InChIKey is LBDVFGKWKCZDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2/c1-43(2)38-17-8-7-13-32(38)36-25-29(19-21-39(36)43)41-33-14-5-6-15-34(33)42(40-26-44-22-23-45-40)35-20-18-28(24-37(35)41)31-16-9-11-27-10-3-4-12-30(27)31/h3-26H,1-2H3.

What are the key properties of 2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]pyrazine?

2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]pyrazine has a molecular weight of 574.73 g/mol, XLogP of 11.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]pyrazine is sourced from PubChem (CID 59196063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).