4-[8-(9,9-diphenyl-10H-acridin-4-yl)-10-spiro[benzo[g]fluorene-7,9'-fluorene]-8-ylanthracen-1-yl]-9,9,10-triphenylacridine

C99H64N2 — CID 158526367

About 4-[8-(9,9-diphenyl-10H-acridin-4-yl)-10-spiro[benzo[g]fluorene-7,9'-fluorene]-8-ylanthracen-1-yl]-9,9,10-triphenylacridine

4-[8-(9,9-diphenyl-10H-acridin-4-yl)-10-spiro[benzo[g]fluorene-7,9'-fluorene]-8-ylanthracen-1-yl]-9,9,10-triphenylacridine (PubChem CID 158526367) has the molecular formula C99H64N2 and a molecular weight of 1281.62 g/mol. Its IUPAC name is 4-[8-(9,9-diphenyl-10H-acridin-4-yl)-10-spiro[benzo[g]fluorene-7,9'-fluorene]-8-ylanthracen-1-yl]-9,9,10-triphenylacridine.

Molecular Properties

• Compound Name: 4-[8-(9,9-diphenyl-10H-acridin-4-yl)-10-spiro[benzo[g]fluorene-7,9'-fluorene]-8-ylanthracen-1-yl]-9,9,10-triphenylacridine
• PubChem CID: 158526367
• Molecular Formula: C99H64N2
• Molecular Weight: 1281.62 g/mol
• Exact Mass: 1280.51
• IUPAC Name: 4-[8-(9,9-diphenyl-10H-acridin-4-yl)-10-spiro[benzo[g]fluorene-7,9'-fluorene]-8-ylanthracen-1-yl]-9,9,10-triphenylacridine
• SMILES: c1ccc(N2c3ccccc3C(c3ccccc3)(c3ccccc3)c3cccc(-c4cccc5c(-c6cccc7c6C6(c8ccccc8-c8ccccc86)c6ccc8ccccc8c6-7)c6cccc(-c7cccc8c7Nc7ccccc7C8(c7ccccc7)c7ccccc7)c6cc45)c32)cc1
• InChI: InChI=1S/C99H64N2/c1-6-32-65(33-7-1)97(66-34-8-2-9-35-66)85-55-22-24-59-90(85)100-95-77(49-29-57-88(95)97)71-45-26-47-75-81(71)63-82-72(78-50-30-58-89-96(78)101(69-40-14-5-15-41-69)91-60-25-23-56-86(91)98(89,67-36-10-3-11-37-67)68-38-12-4-13-39-68)46-27-48-76(82)92(75)79-51-28-52-80-93-70-42-17-16-31-64(70)61-62-87(93)99(94(79)80)83-53-20-18-43-73(83)74-44-19-21-54-84(74)99/h1-63,100H
• InChIKey: JIHMJOAGHFXYNW-UHFFFAOYSA-N
• XLogP: 25.10
• TPSA: 15.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1281.62
LogP ≤ 5	25.10
H-Bond Donors ≤ 5	1
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-[8-(9,9-diphenyl-10H-acridin-4-yl)-10-spiro[benzo[g]fluorene-7,9'-fluorene]-8-ylanthracen-1-yl]-9,9,10-triphenylacridine?

The IUPAC name of 4-[8-(9,9-diphenyl-10H-acridin-4-yl)-10-spiro[benzo[g]fluorene-7,9'-fluorene]-8-ylanthracen-1-yl]-9,9,10-triphenylacridine (CID 158526367) is 4-[8-(9,9-diphenyl-10H-acridin-4-yl)-10-spiro[benzo[g]fluorene-7,9'-fluorene]-8-ylanthracen-1-yl]-9,9,10-triphenylacridine.

What is the SMILES notation for 4-[8-(9,9-diphenyl-10H-acridin-4-yl)-10-spiro[benzo[g]fluorene-7,9'-fluorene]-8-ylanthracen-1-yl]-9,9,10-triphenylacridine?

The canonical SMILES for 4-[8-(9,9-diphenyl-10H-acridin-4-yl)-10-spiro[benzo[g]fluorene-7,9'-fluorene]-8-ylanthracen-1-yl]-9,9,10-triphenylacridine is c1ccc(N2c3ccccc3C(c3ccccc3)(c3ccccc3)c3cccc(-c4cccc5c(-c6cccc7c6C6(c8ccccc8-c8ccccc86)c6ccc8ccccc8c6-7)c6cccc(-c7cccc8c7Nc7ccccc7C8(c7ccccc7)c7ccccc7)c6cc45)c32)cc1.

What is the InChIKey of 4-[8-(9,9-diphenyl-10H-acridin-4-yl)-10-spiro[benzo[g]fluorene-7,9'-fluorene]-8-ylanthracen-1-yl]-9,9,10-triphenylacridine?

The InChIKey is JIHMJOAGHFXYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H64N2/c1-6-32-65(33-7-1)97(66-34-8-2-9-35-66)85-55-22-24-59-90(85)100-95-77(49-29-57-88(95)97)71-45-26-47-75-81(71)63-82-72(78-50-30-58-89-96(78)101(69-40-14-5-15-41-69)91-60-25-23-56-86(91)98(89,67-36-10-3-11-37-67)68-38-12-4-13-39-68)46-27-48-76(82)92(75)79-51-28-52-80-93-70-42-17-16-31-64(70)61-62-87(93)99(94(79)80)83-53-20-18-43-73(83)74-44-19-21-54-84(74)99/h1-63,100H.

What are the key properties of 4-[8-(9,9-diphenyl-10H-acridin-4-yl)-10-spiro[benzo[g]fluorene-7,9'-fluorene]-8-ylanthracen-1-yl]-9,9,10-triphenylacridine?

4-[8-(9,9-diphenyl-10H-acridin-4-yl)-10-spiro[benzo[g]fluorene-7,9'-fluorene]-8-ylanthracen-1-yl]-9,9,10-triphenylacridine has a molecular weight of 1281.62 g/mol, XLogP of 25.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-(9,9-diphenyl-10H-acridin-4-yl)-10-spiro[benzo[g]fluorene-7,9'-fluorene]-8-ylanthracen-1-yl]-9,9,10-triphenylacridine is sourced from PubChem (CID 158526367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).