10-[6-(9H-acridin-10-yl)-9,10-bis[2-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]-9H-acridine

C82H60N2 — CID 59220847

About 10-[6-(9H-acridin-10-yl)-9,10-bis[2-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]-9H-acridine

10-[6-(9H-acridin-10-yl)-9,10-bis[2-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]-9H-acridine (PubChem CID 59220847) has the molecular formula C82H60N2 and a molecular weight of 1073.40 g/mol. Its IUPAC name is 10-[6-(9H-acridin-10-yl)-9,10-bis[2-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]-9H-acridine.

Molecular Properties

• Compound Name: 10-[6-(9H-acridin-10-yl)-9,10-bis[2-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]-9H-acridine
• PubChem CID: 59220847
• Molecular Formula: C82H60N2
• Molecular Weight: 1073.40 g/mol
• Exact Mass: 1072.48
• IUPAC Name: 10-[6-(9H-acridin-10-yl)-9,10-bis[2-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]-9H-acridine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccccc3-c3c4ccc(N5c6ccccc6Cc6ccccc65)cc4c(-c4ccccc4-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc(N5c6ccccc6Cc6ccccc65)cc34)cc21
• InChI: InChI=1S/C82H60N2/c1-81(2)71-31-15-13-27-61(71)63-41-37-51(47-73(63)81)59-25-9-11-29-65(59)79-67-43-39-58(84-77-35-19-7-23-55(77)46-56-24-8-20-36-78(56)84)50-70(67)80(66-30-12-10-26-60(66)52-38-42-64-62-28-14-16-32-72(62)82(3,4)74(64)48-52)68-44-40-57(49-69(68)79)83-75-33-17-5-21-53(75)45-54-22-6-18-34-76(54)83/h5-44,47-50H,45-46H2,1-4H3
• InChIKey: SFOUFIDHRLPIIT-UHFFFAOYSA-N
• XLogP: 22.02
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1073.40
LogP ≤ 5	22.02
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-[6-(9H-acridin-10-yl)-9,10-bis[2-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]-9H-acridine?

The IUPAC name of 10-[6-(9H-acridin-10-yl)-9,10-bis[2-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]-9H-acridine (CID 59220847) is 10-[6-(9H-acridin-10-yl)-9,10-bis[2-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]-9H-acridine.

What is the SMILES notation for 10-[6-(9H-acridin-10-yl)-9,10-bis[2-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]-9H-acridine?

The canonical SMILES for 10-[6-(9H-acridin-10-yl)-9,10-bis[2-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]-9H-acridine is CC1(C)c2ccccc2-c2ccc(-c3ccccc3-c3c4ccc(N5c6ccccc6Cc6ccccc65)cc4c(-c4ccccc4-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc(N5c6ccccc6Cc6ccccc65)cc34)cc21.

What is the InChIKey of 10-[6-(9H-acridin-10-yl)-9,10-bis[2-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]-9H-acridine?

The InChIKey is SFOUFIDHRLPIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H60N2/c1-81(2)71-31-15-13-27-61(71)63-41-37-51(47-73(63)81)59-25-9-11-29-65(59)79-67-43-39-58(84-77-35-19-7-23-55(77)46-56-24-8-20-36-78(56)84)50-70(67)80(66-30-12-10-26-60(66)52-38-42-64-62-28-14-16-32-72(62)82(3,4)74(64)48-52)68-44-40-57(49-69(68)79)83-75-33-17-5-21-53(75)45-54-22-6-18-34-76(54)83/h5-44,47-50H,45-46H2,1-4H3.

What are the key properties of 10-[6-(9H-acridin-10-yl)-9,10-bis[2-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]-9H-acridine?

10-[6-(9H-acridin-10-yl)-9,10-bis[2-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]-9H-acridine has a molecular weight of 1073.40 g/mol, XLogP of 22.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[6-(9H-acridin-10-yl)-9,10-bis[2-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]-9H-acridine is sourced from PubChem (CID 59220847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).