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

C90H60N2 — CID 155334645

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

1-[10-phenanthren-9-yl-8-(9,9,10-triphenylacridin-1-yl)anthracen-1-yl]-9,9,10-triphenylacridine (PubChem CID 155334645) has the molecular formula C90H60N2 and a molecular weight of 1169.48 g/mol. Its IUPAC name is 1-[10-phenanthren-9-yl-8-(9,9,10-triphenylacridin-1-yl)anthracen-1-yl]-9,9,10-triphenylacridine.

Molecular Properties

• Compound Name: 1-[10-phenanthren-9-yl-8-(9,9,10-triphenylacridin-1-yl)anthracen-1-yl]-9,9,10-triphenylacridine
• PubChem CID: 155334645
• Molecular Formula: C90H60N2
• Molecular Weight: 1169.48 g/mol
• Exact Mass: 1168.48
• IUPAC Name: 1-[10-phenanthren-9-yl-8-(9,9,10-triphenylacridin-1-yl)anthracen-1-yl]-9,9,10-triphenylacridine
• SMILES: c1ccc(N2c3ccccc3C(c3ccccc3)(c3ccccc3)c3c(-c4cccc5c(-c6cc7ccccc7c7ccccc67)c6cccc(-c7cccc8c7C(c7ccccc7)(c7ccccc7)c7ccccc7N8c7ccccc7)c6cc45)cccc32)cc1
• InChI: InChI=1S/C90H60N2/c1-7-32-62(33-8-1)89(63-34-9-2-10-35-63)80-53-23-25-55-82(80)91(66-40-15-5-16-41-66)84-57-29-51-75(87(84)89)71-47-27-49-73-77(71)60-78-72(48-28-50-74(78)86(73)79-59-61-31-19-20-44-68(61)69-45-21-22-46-70(69)79)76-52-30-58-85-88(76)90(64-36-11-3-12-37-64,65-38-13-4-14-39-65)81-54-24-26-56-83(81)92(85)67-42-17-6-18-43-67/h1-60H
• InChIKey: UKLOMDKRKVAKAB-UHFFFAOYSA-N
• XLogP: 23.63
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1169.48
LogP ≤ 5	23.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[10-phenanthren-9-yl-8-(9,9,10-triphenylacridin-1-yl)anthracen-1-yl]-9,9,10-triphenylacridine?

The IUPAC name of 1-[10-phenanthren-9-yl-8-(9,9,10-triphenylacridin-1-yl)anthracen-1-yl]-9,9,10-triphenylacridine (CID 155334645) is 1-[10-phenanthren-9-yl-8-(9,9,10-triphenylacridin-1-yl)anthracen-1-yl]-9,9,10-triphenylacridine.

What is the SMILES notation for 1-[10-phenanthren-9-yl-8-(9,9,10-triphenylacridin-1-yl)anthracen-1-yl]-9,9,10-triphenylacridine?

The canonical SMILES for 1-[10-phenanthren-9-yl-8-(9,9,10-triphenylacridin-1-yl)anthracen-1-yl]-9,9,10-triphenylacridine is c1ccc(N2c3ccccc3C(c3ccccc3)(c3ccccc3)c3c(-c4cccc5c(-c6cc7ccccc7c7ccccc67)c6cccc(-c7cccc8c7C(c7ccccc7)(c7ccccc7)c7ccccc7N8c7ccccc7)c6cc45)cccc32)cc1.

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

The InChIKey is UKLOMDKRKVAKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H60N2/c1-7-32-62(33-8-1)89(63-34-9-2-10-35-63)80-53-23-25-55-82(80)91(66-40-15-5-16-41-66)84-57-29-51-75(87(84)89)71-47-27-49-73-77(71)60-78-72(48-28-50-74(78)86(73)79-59-61-31-19-20-44-68(61)69-45-21-22-46-70(69)79)76-52-30-58-85-88(76)90(64-36-11-3-12-37-64,65-38-13-4-14-39-65)81-54-24-26-56-83(81)92(85)67-42-17-6-18-43-67/h1-60H.

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

1-[10-phenanthren-9-yl-8-(9,9,10-triphenylacridin-1-yl)anthracen-1-yl]-9,9,10-triphenylacridine has a molecular weight of 1169.48 g/mol, XLogP of 23.63, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[10-phenanthren-9-yl-8-(9,9,10-triphenylacridin-1-yl)anthracen-1-yl]-9,9,10-triphenylacridine is sourced from PubChem (CID 155334645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).