4-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(10-methyl-9,9-diphenylacridin-4-yl)anthracen-1-yl]-10-methyl-9,9-diphenylacridine

C100H68N2 — CID 155333923

About 4-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(10-methyl-9,9-diphenylacridin-4-yl)anthracen-1-yl]-10-methyl-9,9-diphenylacridine

4-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(10-methyl-9,9-diphenylacridin-4-yl)anthracen-1-yl]-10-methyl-9,9-diphenylacridine (PubChem CID 155333923) has the molecular formula C100H68N2 and a molecular weight of 1297.66 g/mol. Its IUPAC name is 4-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(10-methyl-9,9-diphenylacridin-4-yl)anthracen-1-yl]-10-methyl-9,9-diphenylacridine.

Molecular Properties

• Compound Name: 4-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(10-methyl-9,9-diphenylacridin-4-yl)anthracen-1-yl]-10-methyl-9,9-diphenylacridine
• PubChem CID: 155333923
• Molecular Formula: C100H68N2
• Molecular Weight: 1297.66 g/mol
• Exact Mass: 1296.54
• IUPAC Name: 4-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(10-methyl-9,9-diphenylacridin-4-yl)anthracen-1-yl]-10-methyl-9,9-diphenylacridine
• SMILES: CN1c2ccccc2C(c2ccccc2)(c2ccccc2)c2cccc(-c3cccc4c(-c5c6cccc(-c7cccc8ccccc78)c6cc6c(-c7cccc8ccccc78)cccc56)c5cccc(-c6cccc7c6N(C)c6ccccc6C7(c6ccccc6)c6ccccc6)c5cc34)c21
• InChI: InChI=1S/C100H68N2/c1-101-93-61-21-19-57-89(93)99(67-35-7-3-8-36-67,68-37-9-4-10-38-68)91-59-29-55-83(97(91)101)77-49-27-53-81-87(77)64-88-78(84-56-30-60-92-98(84)102(2)94-62-22-20-58-90(94)100(92,69-39-11-5-12-40-69)70-41-13-6-14-42-70)50-28-54-82(88)96(81)95-79-51-25-47-75(73-45-23-33-65-31-15-17-43-71(65)73)85(79)63-86-76(48-26-52-80(86)95)74-46-24-34-66-32-16-18-44-72(66)74/h3-64H,1-2H3
• InChIKey: IFSJXQWLKINONX-UHFFFAOYSA-N
• XLogP: 25.87
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1297.66
LogP ≤ 5	25.87
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-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(10-methyl-9,9-diphenylacridin-4-yl)anthracen-1-yl]-10-methyl-9,9-diphenylacridine?

The IUPAC name of 4-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(10-methyl-9,9-diphenylacridin-4-yl)anthracen-1-yl]-10-methyl-9,9-diphenylacridine (CID 155333923) is 4-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(10-methyl-9,9-diphenylacridin-4-yl)anthracen-1-yl]-10-methyl-9,9-diphenylacridine.

What is the SMILES notation for 4-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(10-methyl-9,9-diphenylacridin-4-yl)anthracen-1-yl]-10-methyl-9,9-diphenylacridine?

The canonical SMILES for 4-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(10-methyl-9,9-diphenylacridin-4-yl)anthracen-1-yl]-10-methyl-9,9-diphenylacridine is CN1c2ccccc2C(c2ccccc2)(c2ccccc2)c2cccc(-c3cccc4c(-c5c6cccc(-c7cccc8ccccc78)c6cc6c(-c7cccc8ccccc78)cccc56)c5cccc(-c6cccc7c6N(C)c6ccccc6C7(c6ccccc6)c6ccccc6)c5cc34)c21.

What is the InChIKey of 4-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(10-methyl-9,9-diphenylacridin-4-yl)anthracen-1-yl]-10-methyl-9,9-diphenylacridine?

The InChIKey is IFSJXQWLKINONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H68N2/c1-101-93-61-21-19-57-89(93)99(67-35-7-3-8-36-67,68-37-9-4-10-38-68)91-59-29-55-83(97(91)101)77-49-27-53-81-87(77)64-88-78(84-56-30-60-92-98(84)102(2)94-62-22-20-58-90(94)100(92,69-39-11-5-12-40-69)70-41-13-6-14-42-70)50-28-54-82(88)96(81)95-79-51-25-47-75(73-45-23-33-65-31-15-17-43-71(65)73)85(79)63-86-76(48-26-52-80(86)95)74-46-24-34-66-32-16-18-44-72(66)74/h3-64H,1-2H3.

What are the key properties of 4-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(10-methyl-9,9-diphenylacridin-4-yl)anthracen-1-yl]-10-methyl-9,9-diphenylacridine?

4-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(10-methyl-9,9-diphenylacridin-4-yl)anthracen-1-yl]-10-methyl-9,9-diphenylacridine has a molecular weight of 1297.66 g/mol, XLogP of 25.87, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(10-methyl-9,9-diphenylacridin-4-yl)anthracen-1-yl]-10-methyl-9,9-diphenylacridine is sourced from PubChem (CID 155333923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).