4-[10-(9,9-dimethylfluoren-4-yl)-8-(9,9,10-triphenylacridin-4-yl)anthracen-1-yl]-9,9,10-triphenylacridine

C91H64N2 — CID 155334489

About 4-[10-(9,9-dimethylfluoren-4-yl)-8-(9,9,10-triphenylacridin-4-yl)anthracen-1-yl]-9,9,10-triphenylacridine

4-[10-(9,9-dimethylfluoren-4-yl)-8-(9,9,10-triphenylacridin-4-yl)anthracen-1-yl]-9,9,10-triphenylacridine (PubChem CID 155334489) has the molecular formula C91H64N2 and a molecular weight of 1185.53 g/mol. Its IUPAC name is 4-[10-(9,9-dimethylfluoren-4-yl)-8-(9,9,10-triphenylacridin-4-yl)anthracen-1-yl]-9,9,10-triphenylacridine.

Molecular Properties

• Compound Name: 4-[10-(9,9-dimethylfluoren-4-yl)-8-(9,9,10-triphenylacridin-4-yl)anthracen-1-yl]-9,9,10-triphenylacridine
• PubChem CID: 155334489
• Molecular Formula: C91H64N2
• Molecular Weight: 1185.53 g/mol
• Exact Mass: 1184.51
• IUPAC Name: 4-[10-(9,9-dimethylfluoren-4-yl)-8-(9,9,10-triphenylacridin-4-yl)anthracen-1-yl]-9,9,10-triphenylacridine
• SMILES: CC1(C)c2ccccc2-c2c(-c3c4cccc(-c5cccc6c5N(c5ccccc5)c5ccccc5C6(c5ccccc5)c5ccccc5)c4cc4c(-c5cccc6c5N(c5ccccc5)c5ccccc5C6(c5ccccc5)c5ccccc5)cccc34)cccc21
• InChI: InChI=1S/C91H64N2/c1-89(2)77-52-22-21-44-73(77)86-74(51-31-55-80(86)89)85-69-47-27-45-67(71-49-29-56-81-87(71)92(65-40-17-7-18-41-65)83-58-25-23-53-78(83)90(81,61-32-9-3-10-33-61)62-34-11-4-12-35-62)75(69)60-76-68(46-28-48-70(76)85)72-50-30-57-82-88(72)93(66-42-19-8-20-43-66)84-59-26-24-54-79(84)91(82,63-36-13-5-14-37-63)64-38-15-6-16-39-64/h3-60H,1-2H3
• InChIKey: QXUOGGBAAIJIBS-UHFFFAOYSA-N
• XLogP: 23.63
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1185.53
LogP ≤ 5	23.63
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 4-[10-(9,9-dimethylfluoren-4-yl)-8-(9,9,10-triphenylacridin-4-yl)anthracen-1-yl]-9,9,10-triphenylacridine?

The IUPAC name of 4-[10-(9,9-dimethylfluoren-4-yl)-8-(9,9,10-triphenylacridin-4-yl)anthracen-1-yl]-9,9,10-triphenylacridine (CID 155334489) is 4-[10-(9,9-dimethylfluoren-4-yl)-8-(9,9,10-triphenylacridin-4-yl)anthracen-1-yl]-9,9,10-triphenylacridine.

What is the SMILES notation for 4-[10-(9,9-dimethylfluoren-4-yl)-8-(9,9,10-triphenylacridin-4-yl)anthracen-1-yl]-9,9,10-triphenylacridine?

The canonical SMILES for 4-[10-(9,9-dimethylfluoren-4-yl)-8-(9,9,10-triphenylacridin-4-yl)anthracen-1-yl]-9,9,10-triphenylacridine is CC1(C)c2ccccc2-c2c(-c3c4cccc(-c5cccc6c5N(c5ccccc5)c5ccccc5C6(c5ccccc5)c5ccccc5)c4cc4c(-c5cccc6c5N(c5ccccc5)c5ccccc5C6(c5ccccc5)c5ccccc5)cccc34)cccc21.

What is the InChIKey of 4-[10-(9,9-dimethylfluoren-4-yl)-8-(9,9,10-triphenylacridin-4-yl)anthracen-1-yl]-9,9,10-triphenylacridine?

The InChIKey is QXUOGGBAAIJIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H64N2/c1-89(2)77-52-22-21-44-73(77)86-74(51-31-55-80(86)89)85-69-47-27-45-67(71-49-29-56-81-87(71)92(65-40-17-7-18-41-65)83-58-25-23-53-78(83)90(81,61-32-9-3-10-33-61)62-34-11-4-12-35-62)75(69)60-76-68(46-28-48-70(76)85)72-50-30-57-82-88(72)93(66-42-19-8-20-43-66)84-59-26-24-54-79(84)91(82,63-36-13-5-14-37-63)64-38-15-6-16-39-64/h3-60H,1-2H3.

What are the key properties of 4-[10-(9,9-dimethylfluoren-4-yl)-8-(9,9,10-triphenylacridin-4-yl)anthracen-1-yl]-9,9,10-triphenylacridine?

4-[10-(9,9-dimethylfluoren-4-yl)-8-(9,9,10-triphenylacridin-4-yl)anthracen-1-yl]-9,9,10-triphenylacridine has a molecular weight of 1185.53 g/mol, XLogP of 23.63, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[10-(9,9-dimethylfluoren-4-yl)-8-(9,9,10-triphenylacridin-4-yl)anthracen-1-yl]-9,9,10-triphenylacridine is sourced from PubChem (CID 155334489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).