10-[7-(9H-acridin-10-yl)-10-naphthalen-2-yl-9-phenylanthracen-2-yl]-9H-acridine

C56H38N2 — CID 59220201

About 10-[7-(9H-acridin-10-yl)-10-naphthalen-2-yl-9-phenylanthracen-2-yl]-9H-acridine

10-[7-(9H-acridin-10-yl)-10-naphthalen-2-yl-9-phenylanthracen-2-yl]-9H-acridine (PubChem CID 59220201) has the molecular formula C56H38N2 and a molecular weight of 738.93 g/mol. Its IUPAC name is 10-[7-(9H-acridin-10-yl)-10-naphthalen-2-yl-9-phenylanthracen-2-yl]-9H-acridine.

Molecular Properties

• Compound Name: 10-[7-(9H-acridin-10-yl)-10-naphthalen-2-yl-9-phenylanthracen-2-yl]-9H-acridine
• PubChem CID: 59220201
• Molecular Formula: C56H38N2
• Molecular Weight: 738.93 g/mol
• Exact Mass: 738.30
• IUPAC Name: 10-[7-(9H-acridin-10-yl)-10-naphthalen-2-yl-9-phenylanthracen-2-yl]-9H-acridine
• SMILES: c1ccc(-c2c3cc(N4c5ccccc5Cc5ccccc54)ccc3c(-c3ccc4ccccc4c3)c3ccc(N4c5ccccc5Cc5ccccc54)cc23)cc1
• InChI: InChI=1S/C56H38N2/c1-2-15-38(16-3-1)55-49-35-45(57-51-22-10-6-18-40(51)33-41-19-7-11-23-52(41)57)28-30-47(49)56(44-27-26-37-14-4-5-17-39(37)32-44)48-31-29-46(36-50(48)55)58-53-24-12-8-20-42(53)34-43-21-9-13-25-54(43)58/h1-32,35-36H,33-34H2
• InChIKey: GOMRJBCTTAZPSS-UHFFFAOYSA-N
• XLogP: 15.23
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	738.93
LogP ≤ 5	15.23
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 10-[7-(9H-acridin-10-yl)-10-naphthalen-2-yl-9-phenylanthracen-2-yl]-9H-acridine?

The IUPAC name of 10-[7-(9H-acridin-10-yl)-10-naphthalen-2-yl-9-phenylanthracen-2-yl]-9H-acridine (CID 59220201) is 10-[7-(9H-acridin-10-yl)-10-naphthalen-2-yl-9-phenylanthracen-2-yl]-9H-acridine.

What is the SMILES notation for 10-[7-(9H-acridin-10-yl)-10-naphthalen-2-yl-9-phenylanthracen-2-yl]-9H-acridine?

The canonical SMILES for 10-[7-(9H-acridin-10-yl)-10-naphthalen-2-yl-9-phenylanthracen-2-yl]-9H-acridine is c1ccc(-c2c3cc(N4c5ccccc5Cc5ccccc54)ccc3c(-c3ccc4ccccc4c3)c3ccc(N4c5ccccc5Cc5ccccc54)cc23)cc1.

What is the InChIKey of 10-[7-(9H-acridin-10-yl)-10-naphthalen-2-yl-9-phenylanthracen-2-yl]-9H-acridine?

The InChIKey is GOMRJBCTTAZPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2/c1-2-15-38(16-3-1)55-49-35-45(57-51-22-10-6-18-40(51)33-41-19-7-11-23-52(41)57)28-30-47(49)56(44-27-26-37-14-4-5-17-39(37)32-44)48-31-29-46(36-50(48)55)58-53-24-12-8-20-42(53)34-43-21-9-13-25-54(43)58/h1-32,35-36H,33-34H2.

What are the key properties of 10-[7-(9H-acridin-10-yl)-10-naphthalen-2-yl-9-phenylanthracen-2-yl]-9H-acridine?

10-[7-(9H-acridin-10-yl)-10-naphthalen-2-yl-9-phenylanthracen-2-yl]-9H-acridine has a molecular weight of 738.93 g/mol, XLogP of 15.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[7-(9H-acridin-10-yl)-10-naphthalen-2-yl-9-phenylanthracen-2-yl]-9H-acridine is sourced from PubChem (CID 59220201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).