10-methyl-4-[8-(10-methyl-9,9-diphenylacridin-4-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]-9,9-diphenylacridine

C91H62N2 — CID 155333853

About 10-methyl-4-[8-(10-methyl-9,9-diphenylacridin-4-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]-9,9-diphenylacridine

10-methyl-4-[8-(10-methyl-9,9-diphenylacridin-4-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]-9,9-diphenylacridine (PubChem CID 155333853) has the molecular formula C91H62N2 and a molecular weight of 1183.51 g/mol. Its IUPAC name is 10-methyl-4-[8-(10-methyl-9,9-diphenylacridin-4-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]-9,9-diphenylacridine.

Molecular Properties

• Compound Name: 10-methyl-4-[8-(10-methyl-9,9-diphenylacridin-4-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]-9,9-diphenylacridine
• PubChem CID: 155333853
• Molecular Formula: C91H62N2
• Molecular Weight: 1183.51 g/mol
• Exact Mass: 1182.49
• IUPAC Name: 10-methyl-4-[8-(10-methyl-9,9-diphenylacridin-4-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]-9,9-diphenylacridine
• SMILES: CN1c2ccccc2C(c2ccccc2)(c2ccccc2)c2cccc(-c3cccc4c(-c5cccc6c5C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c5cccc(-c6cccc7c6N(C)c6ccccc6C7(c6ccccc6)c6ccccc6)c5cc34)c21
• InChI: InChI=1S/C91H62N2/c1-92-83-56-23-21-52-79(83)89(59-30-7-3-8-31-59,60-32-9-4-10-33-60)81-54-28-46-71(87(81)92)63-41-25-43-68-74(63)58-75-64(72-47-29-55-82-88(72)93(2)84-57-24-22-53-80(84)90(82,61-34-11-5-12-35-61)62-36-13-6-14-37-62)42-26-44-69(75)85(68)73-48-27-45-70-67-40-17-20-51-78(67)91(86(70)73)76-49-18-15-38-65(76)66-39-16-19-50-77(66)91/h3-58H,1-2H3
• InChIKey: KFNBFMSRZVOWOX-UHFFFAOYSA-N
• XLogP: 22.27
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1183.51
LogP ≤ 5	22.27
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-methyl-4-[8-(10-methyl-9,9-diphenylacridin-4-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]-9,9-diphenylacridine?

The IUPAC name of 10-methyl-4-[8-(10-methyl-9,9-diphenylacridin-4-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]-9,9-diphenylacridine (CID 155333853) is 10-methyl-4-[8-(10-methyl-9,9-diphenylacridin-4-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]-9,9-diphenylacridine.

What is the SMILES notation for 10-methyl-4-[8-(10-methyl-9,9-diphenylacridin-4-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]-9,9-diphenylacridine?

The canonical SMILES for 10-methyl-4-[8-(10-methyl-9,9-diphenylacridin-4-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]-9,9-diphenylacridine is CN1c2ccccc2C(c2ccccc2)(c2ccccc2)c2cccc(-c3cccc4c(-c5cccc6c5C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c5cccc(-c6cccc7c6N(C)c6ccccc6C7(c6ccccc6)c6ccccc6)c5cc34)c21.

What is the InChIKey of 10-methyl-4-[8-(10-methyl-9,9-diphenylacridin-4-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]-9,9-diphenylacridine?

The InChIKey is KFNBFMSRZVOWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H62N2/c1-92-83-56-23-21-52-79(83)89(59-30-7-3-8-31-59,60-32-9-4-10-33-60)81-54-28-46-71(87(81)92)63-41-25-43-68-74(63)58-75-64(72-47-29-55-82-88(72)93(2)84-57-24-22-53-80(84)90(82,61-34-11-5-12-35-61)62-36-13-6-14-37-62)42-26-44-69(75)85(68)73-48-27-45-70-67-40-17-20-51-78(67)91(86(70)73)76-49-18-15-38-65(76)66-39-16-19-50-77(66)91/h3-58H,1-2H3.

What are the key properties of 10-methyl-4-[8-(10-methyl-9,9-diphenylacridin-4-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]-9,9-diphenylacridine?

10-methyl-4-[8-(10-methyl-9,9-diphenylacridin-4-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]-9,9-diphenylacridine has a molecular weight of 1183.51 g/mol, XLogP of 22.27, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10-methyl-4-[8-(10-methyl-9,9-diphenylacridin-4-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]-9,9-diphenylacridine is sourced from PubChem (CID 155333853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).