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

C86H60N2 — CID 155333302

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

10-methyl-4-[8-(10-methyl-9,9-diphenylacridin-4-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]-9,9-diphenylacridine (PubChem CID 155333302) has the molecular formula C86H60N2 and a molecular weight of 1121.44 g/mol. Its IUPAC name is 10-methyl-4-[8-(10-methyl-9,9-diphenylacridin-4-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]-9,9-diphenylacridine.

Molecular Properties

• Compound Name: 10-methyl-4-[8-(10-methyl-9,9-diphenylacridin-4-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]-9,9-diphenylacridine
• PubChem CID: 155333302
• Molecular Formula: C86H60N2
• Molecular Weight: 1121.44 g/mol
• Exact Mass: 1120.48
• IUPAC Name: 10-methyl-4-[8-(10-methyl-9,9-diphenylacridin-4-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]-9,9-diphenylacridine
• SMILES: CN1c2ccccc2C(c2ccccc2)(c2ccccc2)c2cccc(-c3cccc4c(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c5cccc(-c6cccc7c6N(C)c6ccccc6C7(c6ccccc6)c6ccccc6)c5cc34)c21
• InChI: InChI=1S/C86H60N2/c1-87-78-54-24-22-50-74(78)85(58-32-10-4-11-33-58,59-34-12-5-13-35-59)76-52-28-48-70(83(76)87)62-44-26-46-68-72(62)56-73-63(45-27-47-69(73)82(68)81-66-42-20-18-40-64(66)80(57-30-8-3-9-31-57)65-41-19-21-43-67(65)81)71-49-29-53-77-84(71)88(2)79-55-25-23-51-75(79)86(77,60-36-14-6-15-37-60)61-38-16-7-17-39-61/h3-56H,1-2H3
• InChIKey: DONAECYQXWWXTM-UHFFFAOYSA-N
• XLogP: 21.90
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1121.44
LogP ≤ 5	21.90
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-(10-phenylanthracen-9-yl)anthracen-1-yl]-9,9-diphenylacridine?

The IUPAC name of 10-methyl-4-[8-(10-methyl-9,9-diphenylacridin-4-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]-9,9-diphenylacridine (CID 155333302) is 10-methyl-4-[8-(10-methyl-9,9-diphenylacridin-4-yl)-10-(10-phenylanthracen-9-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-(10-phenylanthracen-9-yl)anthracen-1-yl]-9,9-diphenylacridine?

The canonical SMILES for 10-methyl-4-[8-(10-methyl-9,9-diphenylacridin-4-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]-9,9-diphenylacridine is CN1c2ccccc2C(c2ccccc2)(c2ccccc2)c2cccc(-c3cccc4c(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)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-(10-phenylanthracen-9-yl)anthracen-1-yl]-9,9-diphenylacridine?

The InChIKey is DONAECYQXWWXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H60N2/c1-87-78-54-24-22-50-74(78)85(58-32-10-4-11-33-58,59-34-12-5-13-35-59)76-52-28-48-70(83(76)87)62-44-26-46-68-72(62)56-73-63(45-27-47-69(73)82(68)81-66-42-20-18-40-64(66)80(57-30-8-3-9-31-57)65-41-19-21-43-67(65)81)71-49-29-53-77-84(71)88(2)79-55-25-23-51-75(79)86(77,60-36-14-6-15-37-60)61-38-16-7-17-39-61/h3-56H,1-2H3.

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

10-methyl-4-[8-(10-methyl-9,9-diphenylacridin-4-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]-9,9-diphenylacridine has a molecular weight of 1121.44 g/mol, XLogP of 21.90, 8 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-(10-phenylanthracen-9-yl)anthracen-1-yl]-9,9-diphenylacridine is sourced from PubChem (CID 155333302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).