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

C64H42N2 — CID 89090746

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

10-[7-(9H-acridin-10-yl)-10-(9-methylidenefluoren-2-yl)-9-naphthalen-2-ylanthracen-2-yl]-9H-acridine (PubChem CID 89090746) has the molecular formula C64H42N2 and a molecular weight of 839.05 g/mol. Its IUPAC name is 10-[7-(9H-acridin-10-yl)-10-(9-methylidenefluoren-2-yl)-9-naphthalen-2-ylanthracen-2-yl]-9H-acridine.

Molecular Properties

• Compound Name: 10-[7-(9H-acridin-10-yl)-10-(9-methylidenefluoren-2-yl)-9-naphthalen-2-ylanthracen-2-yl]-9H-acridine
• PubChem CID: 89090746
• Molecular Formula: C64H42N2
• Molecular Weight: 839.05 g/mol
• Exact Mass: 838.33
• IUPAC Name: 10-[7-(9H-acridin-10-yl)-10-(9-methylidenefluoren-2-yl)-9-naphthalen-2-ylanthracen-2-yl]-9H-acridine
• SMILES: C=C1c2ccccc2-c2ccc(-c3c4ccc(N5c6ccccc6Cc6ccccc65)cc4c(-c4ccc5ccccc5c4)c4cc(N5c6ccccc6Cc6ccccc65)ccc34)cc21
• InChI: InChI=1S/C64H42N2/c1-40-51-20-8-9-21-52(51)53-31-28-48(37-56(40)53)63-54-32-29-49(65-59-22-10-4-16-43(59)35-44-17-5-11-23-60(44)65)38-57(54)64(47-27-26-41-14-2-3-15-42(41)34-47)58-39-50(30-33-55(58)63)66-61-24-12-6-18-45(61)36-46-19-7-13-25-62(46)66/h2-34,37-39H,1,35-36H2
• InChIKey: WLJKHBMJGNDFPM-UHFFFAOYSA-N
• XLogP: 17.27
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	839.05
LogP ≤ 5	17.27
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-(9-methylidenefluoren-2-yl)-9-naphthalen-2-ylanthracen-2-yl]-9H-acridine?

The IUPAC name of 10-[7-(9H-acridin-10-yl)-10-(9-methylidenefluoren-2-yl)-9-naphthalen-2-ylanthracen-2-yl]-9H-acridine (CID 89090746) is 10-[7-(9H-acridin-10-yl)-10-(9-methylidenefluoren-2-yl)-9-naphthalen-2-ylanthracen-2-yl]-9H-acridine.

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

The canonical SMILES for 10-[7-(9H-acridin-10-yl)-10-(9-methylidenefluoren-2-yl)-9-naphthalen-2-ylanthracen-2-yl]-9H-acridine is C=C1c2ccccc2-c2ccc(-c3c4ccc(N5c6ccccc6Cc6ccccc65)cc4c(-c4ccc5ccccc5c4)c4cc(N5c6ccccc6Cc6ccccc65)ccc34)cc21.

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

The InChIKey is WLJKHBMJGNDFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2/c1-40-51-20-8-9-21-52(51)53-31-28-48(37-56(40)53)63-54-32-29-49(65-59-22-10-4-16-43(59)35-44-17-5-11-23-60(44)65)38-57(54)64(47-27-26-41-14-2-3-15-42(41)34-47)58-39-50(30-33-55(58)63)66-61-24-12-6-18-45(61)36-46-19-7-13-25-62(46)66/h2-34,37-39H,1,35-36H2.

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

10-[7-(9H-acridin-10-yl)-10-(9-methylidenefluoren-2-yl)-9-naphthalen-2-ylanthracen-2-yl]-9H-acridine has a molecular weight of 839.05 g/mol, XLogP of 17.27, 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-(9-methylidenefluoren-2-yl)-9-naphthalen-2-ylanthracen-2-yl]-9H-acridine is sourced from PubChem (CID 89090746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).