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

C101H68N2 — CID 155333482

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

4-[10-(9,9-diphenylfluoren-4-yl)-8-(9,9,10-triphenylacridin-4-yl)anthracen-1-yl]-9,9,10-triphenylacridine (PubChem CID 155333482) has the molecular formula C101H68N2 and a molecular weight of 1309.67 g/mol. Its IUPAC name is 4-[10-(9,9-diphenylfluoren-4-yl)-8-(9,9,10-triphenylacridin-4-yl)anthracen-1-yl]-9,9,10-triphenylacridine.

Molecular Properties

• Compound Name: 4-[10-(9,9-diphenylfluoren-4-yl)-8-(9,9,10-triphenylacridin-4-yl)anthracen-1-yl]-9,9,10-triphenylacridine
• PubChem CID: 155333482
• Molecular Formula: C101H68N2
• Molecular Weight: 1309.67 g/mol
• Exact Mass: 1308.54
• IUPAC Name: 4-[10-(9,9-diphenylfluoren-4-yl)-8-(9,9,10-triphenylacridin-4-yl)anthracen-1-yl]-9,9,10-triphenylacridine
• SMILES: c1ccc(N2c3ccccc3C(c3ccccc3)(c3ccccc3)c3cccc(-c4cccc5c(-c6cccc7c6-c6ccccc6C7(c6ccccc6)c6ccccc6)c6cccc(-c7cccc8c7N(c7ccccc7)c7ccccc7C8(c7ccccc7)c7ccccc7)c6cc45)c32)cc1
• InChI: InChI=1S/C101H68N2/c1-9-36-69(37-10-1)99(70-38-11-2-12-39-70)87-60-26-25-52-83(87)96-84(59-35-63-90(96)99)95-79-55-31-53-77(81-57-33-64-91-97(81)102(75-48-21-7-22-49-75)93-66-29-27-61-88(93)100(91,71-40-13-3-14-41-71)72-42-15-4-16-43-72)85(79)68-86-78(54-32-56-80(86)95)82-58-34-65-92-98(82)103(76-50-23-8-24-51-76)94-67-30-28-62-89(94)101(92,73-44-17-5-18-45-73)74-46-19-6-20-47-74/h1-68H
• InChIKey: WHSUUAMAHOBYEI-UHFFFAOYSA-N
• XLogP: 25.69
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1309.67
LogP ≤ 5	25.69
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-diphenylfluoren-4-yl)-8-(9,9,10-triphenylacridin-4-yl)anthracen-1-yl]-9,9,10-triphenylacridine?

The IUPAC name of 4-[10-(9,9-diphenylfluoren-4-yl)-8-(9,9,10-triphenylacridin-4-yl)anthracen-1-yl]-9,9,10-triphenylacridine (CID 155333482) is 4-[10-(9,9-diphenylfluoren-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-diphenylfluoren-4-yl)-8-(9,9,10-triphenylacridin-4-yl)anthracen-1-yl]-9,9,10-triphenylacridine?

The canonical SMILES for 4-[10-(9,9-diphenylfluoren-4-yl)-8-(9,9,10-triphenylacridin-4-yl)anthracen-1-yl]-9,9,10-triphenylacridine is c1ccc(N2c3ccccc3C(c3ccccc3)(c3ccccc3)c3cccc(-c4cccc5c(-c6cccc7c6-c6ccccc6C7(c6ccccc6)c6ccccc6)c6cccc(-c7cccc8c7N(c7ccccc7)c7ccccc7C8(c7ccccc7)c7ccccc7)c6cc45)c32)cc1.

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

The InChIKey is WHSUUAMAHOBYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C101H68N2/c1-9-36-69(37-10-1)99(70-38-11-2-12-39-70)87-60-26-25-52-83(87)96-84(59-35-63-90(96)99)95-79-55-31-53-77(81-57-33-64-91-97(81)102(75-48-21-7-22-49-75)93-66-29-27-61-88(93)100(91,71-40-13-3-14-41-71)72-42-15-4-16-43-72)85(79)68-86-78(54-32-56-80(86)95)82-58-34-65-92-98(82)103(76-50-23-8-24-51-76)94-67-30-28-62-89(94)101(92,73-44-17-5-18-45-73)74-46-19-6-20-47-74/h1-68H.

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

4-[10-(9,9-diphenylfluoren-4-yl)-8-(9,9,10-triphenylacridin-4-yl)anthracen-1-yl]-9,9,10-triphenylacridine has a molecular weight of 1309.67 g/mol, XLogP of 25.69, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[10-(9,9-diphenylfluoren-4-yl)-8-(9,9,10-triphenylacridin-4-yl)anthracen-1-yl]-9,9,10-triphenylacridine is sourced from PubChem (CID 155333482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).