10-[6-(9H-acridin-10-yl)-9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-phenylanthracen-2-yl]-9H-acridine

C67H48N2 — CID 59220894

About 10-[6-(9H-acridin-10-yl)-9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-phenylanthracen-2-yl]-9H-acridine

10-[6-(9H-acridin-10-yl)-9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-phenylanthracen-2-yl]-9H-acridine (PubChem CID 59220894) has the molecular formula C67H48N2 and a molecular weight of 881.14 g/mol. Its IUPAC name is 10-[6-(9H-acridin-10-yl)-9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-phenylanthracen-2-yl]-9H-acridine.

Molecular Properties

• Compound Name: 10-[6-(9H-acridin-10-yl)-9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-phenylanthracen-2-yl]-9H-acridine
• PubChem CID: 59220894
• Molecular Formula: C67H48N2
• Molecular Weight: 881.14 g/mol
• Exact Mass: 880.38
• IUPAC Name: 10-[6-(9H-acridin-10-yl)-9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-phenylanthracen-2-yl]-9H-acridine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4c5ccc(N6c7ccccc7Cc7ccccc76)cc5c(-c5ccccc5)c5ccc(N6c7ccccc7Cc7ccccc76)cc45)c3)cc21
• InChI: InChI=1S/C67H48N2/c1-67(2)59-26-11-10-25-53(59)54-34-31-45(40-60(54)67)44-23-16-24-50(37-44)66-56-36-33-51(68-61-27-12-6-19-46(61)38-47-20-7-13-28-62(47)68)41-57(56)65(43-17-4-3-5-18-43)55-35-32-52(42-58(55)66)69-63-29-14-8-21-48(63)39-49-22-9-15-30-64(49)69/h3-37,40-42H,38-39H2,1-2H3
• InChIKey: LUPOPYFWDOKUTN-UHFFFAOYSA-N
• XLogP: 18.05
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	881.14
LogP ≤ 5	18.05
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-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-phenylanthracen-2-yl]-9H-acridine?

The IUPAC name of 10-[6-(9H-acridin-10-yl)-9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-phenylanthracen-2-yl]-9H-acridine (CID 59220894) is 10-[6-(9H-acridin-10-yl)-9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-phenylanthracen-2-yl]-9H-acridine.

What is the SMILES notation for 10-[6-(9H-acridin-10-yl)-9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-phenylanthracen-2-yl]-9H-acridine?

The canonical SMILES for 10-[6-(9H-acridin-10-yl)-9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-phenylanthracen-2-yl]-9H-acridine is CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4c5ccc(N6c7ccccc7Cc7ccccc76)cc5c(-c5ccccc5)c5ccc(N6c7ccccc7Cc7ccccc76)cc45)c3)cc21.

What is the InChIKey of 10-[6-(9H-acridin-10-yl)-9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-phenylanthracen-2-yl]-9H-acridine?

The InChIKey is LUPOPYFWDOKUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H48N2/c1-67(2)59-26-11-10-25-53(59)54-34-31-45(40-60(54)67)44-23-16-24-50(37-44)66-56-36-33-51(68-61-27-12-6-19-46(61)38-47-20-7-13-28-62(47)68)41-57(56)65(43-17-4-3-5-18-43)55-35-32-52(42-58(55)66)69-63-29-14-8-21-48(63)39-49-22-9-15-30-64(49)69/h3-37,40-42H,38-39H2,1-2H3.

What are the key properties of 10-[6-(9H-acridin-10-yl)-9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-phenylanthracen-2-yl]-9H-acridine?

10-[6-(9H-acridin-10-yl)-9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-phenylanthracen-2-yl]-9H-acridine has a molecular weight of 881.14 g/mol, XLogP of 18.05, 5 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-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-phenylanthracen-2-yl]-9H-acridine is sourced from PubChem (CID 59220894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).